You are using an unsupported browser. Please upgrade your browser to a newer version to get the best experience on Human Metabolome Database.
Showing metabocard for Beta-1,4-D-Mannosylchitobiosyldiphosphodolichol (HMDB0011673)
Record Information | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Version | 5.0 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Status | Expected but not Quantified | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Creation Date | 2009-02-04 09:52:18 UTC | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Update Date | 2022-03-07 02:51:13 UTC | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
HMDB ID | HMDB0011673 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Secondary Accession Numbers |
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Metabolite Identification | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Common Name | Beta-1,4-D-Mannosylchitobiosyldiphosphodolichol | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Description | Beta-1,4-D-Mannosylchitobiosyldiphosphodolichol is a lipid-linked oligosaccharide. It is part of the N-glycan biosynthesis pathway. Beta-1,4-D-Mannosylchitobiosyldiphosphodolichol is formed by chitobiosyldiphosphodolichol beta-mannosyltransferase (EC 2.4.1.142) via the reaction: GDP-mannose + chitobiosyldiphosphodolichol = GDP + beta-(1->4)-D-mannosylchitobiosyldiphosphodolichol. It is also a reactant or product of glycolipid 3-alpha-mannosyltransferase or mannosyltransferase II. This enzyme transfers an alpha-D-mannosyl residue from GDP-mannose to a lipid-linked (dolichol) oligosaccharide, forming an alpha-(1->3)-D-mannosyl-D-mannose linkage. | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Structure | MOL for HMDB0011673 (Beta-1,4-D-Mannosylchitobiosyldiphosphodolichol)Mrv0541 02241201502D 73 75 0 0 1 0 999 V2000 15.1607 -15.6337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2096 -14.8101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9473 -14.4406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6361 -14.8948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3737 -14.5253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0625 -14.9794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0136 -15.8029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8001 -14.6100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4889 -15.0640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2266 -14.6946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9153 -15.1487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8665 -15.9723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6530 -14.7793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3418 -15.2334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0794 -14.8639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7682 -15.3180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7193 -16.1416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5058 -14.9486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1946 -15.4027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9323 -15.0332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6211 -15.4873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.3587 -15.1179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5722 -16.3108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5208 -14.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7832 -14.7254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0944 -14.2713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3568 -14.6408 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 12.7262 -15.3785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6191 -15.0103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9873 -13.9031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1638 -13.8543 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 11.2126 -13.0307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1149 -14.6778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3402 -13.8054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5859 -14.3098 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6368 -15.1331 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9661 -15.6134 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2147 -15.2728 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1638 -14.4496 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8345 -13.9691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4124 -14.1089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3318 -13.2878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5440 -15.7531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7648 -16.3231 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8415 -17.1445 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1685 -17.6217 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4188 -17.2774 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3420 -16.4560 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0151 -15.9788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5923 -16.1117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5635 -15.5359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6959 -17.8203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9337 -18.3413 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9939 -19.1641 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3114 -19.6277 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5687 -19.2684 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5086 -18.4456 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1910 -17.9821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7659 -18.0863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7152 -17.3774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8863 -19.7319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3716 -20.4505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7366 -19.5234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2452 -18.4431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5913 -17.4888 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6679 -18.3103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9949 -18.7874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4177 -18.6545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0105 -16.3474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3882 -15.4737 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4391 -16.2969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7516 -16.7527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1775 -16.6645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 31 34 1 0 0 0 0 35 34 1 6 0 0 0 35 36 1 0 0 0 0 35 40 1 0 0 0 0 36 37 1 0 0 0 0 36 70 1 6 0 0 0 37 38 1 0 0 0 0 37 69 1 1 0 0 0 38 39 1 0 0 0 0 38 43 1 6 0 0 0 39 40 1 0 0 0 0 39 41 1 1 0 0 0 41 42 1 0 0 0 0 44 43 1 1 0 0 0 44 45 1 0 0 0 0 44 49 1 0 0 0 0 45 46 1 0 0 0 0 45 65 1 6 0 0 0 46 47 1 0 0 0 0 46 64 1 1 0 0 0 47 48 1 0 0 0 0 47 52 1 6 0 0 0 48 49 1 0 0 0 0 48 50 1 1 0 0 0 50 51 1 0 0 0 0 53 52 1 1 0 0 0 53 54 1 0 0 0 0 53 58 1 0 0 0 0 54 55 1 0 0 0 0 54 63 1 1 0 0 0 55 56 1 0 0 0 0 55 62 1 1 0 0 0 56 57 1 0 0 0 0 56 61 1 6 0 0 0 57 58 1 0 0 0 0 57 59 1 1 0 0 0 59 60 1 0 0 0 0 65 66 1 0 0 0 0 66 67 2 0 0 0 0 66 68 1 0 0 0 0 70 71 1 0 0 0 0 71 72 2 0 0 0 0 71 73 1 0 0 0 0 M END 3D MOL for HMDB0011673 (Beta-1,4-D-Mannosylchitobiosyldiphosphodolichol)HMDB0011673 RDKit 3D Beta-1,4-D-Mannosylchitobiosyldiphosphodolichol 155157 0 0 0 0 0 0 0 0999 V2000 -10.2243 -2.2625 -5.1876 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5586 -2.1794 -3.8731 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4957 -2.8242 -3.6957 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.0681 -1.4025 -2.8020 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.3878 -1.3444 -1.5247 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.8635 0.0701 -1.3741 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.9648 0.1883 -0.3522 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6864 0.5997 -0.7294 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.7516 -0.5377 -0.2880 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.0691 -1.1790 -1.4773 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3132 -2.2676 -1.0307 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8065 -0.1194 0.6024 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0340 0.9680 0.1791 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.1174 1.1796 1.2187 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6124 0.5995 0.7837 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.6306 0.6920 1.9544 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6919 -1.0357 0.3480 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9802 1.5083 -0.4636 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5059 0.8998 -1.0024 P 0 0 0 0 0 5 0 0 0 0 0 0 0.3731 -0.4513 -1.6202 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0324 1.9491 -2.2525 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6424 0.8366 0.2356 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1045 -0.4617 0.3543 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1311 -0.5544 1.4208 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3206 0.3572 1.1725 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8763 1.8123 1.1365 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9087 0.0203 -0.1478 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1231 0.7993 -0.5753 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2035 0.5826 0.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9208 1.5375 0.9213 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6916 2.9505 0.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0177 1.2407 1.9294 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3399 1.7450 1.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5249 1.0095 0.0713 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5645 0.2165 -0.1402 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5737 0.0579 0.9161 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6491 -0.4829 -1.4418 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8419 -0.1516 -2.2587 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0809 -0.5183 -1.5312 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0172 0.3509 -1.1712 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7813 1.7957 -1.5379 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2568 -0.0129 -0.4374 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2444 -1.4869 -0.1976 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4840 -1.8909 0.5571 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3124 -2.7560 -0.0129 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0494 -3.3240 -1.3564 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5325 -3.1656 0.7186 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8783 2.1571 -0.0760 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.6362 3.2299 0.8983 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5930 4.5578 0.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3570 5.7063 1.3425 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7531 4.7976 -0.7995 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3374 1.7812 0.1379 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.1717 2.8764 -0.0359 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.9356 0.8889 -1.2096 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.6494 0.6512 -0.0833 C 0 0 2 0 0 0 0 0 0 0 0 0 -10.0978 1.5378 1.0287 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7756 1.3716 2.2301 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.9131 -0.7269 0.3472 C 0 0 1 0 0 0 0 0 0 0 0 0 -12.3005 -0.9396 0.4417 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.7295 -1.2697 1.7259 C 0 0 2 0 0 0 0 0 0 0 0 0 -13.2550 -2.5243 1.7028 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.4961 -2.7347 1.2237 C 0 0 2 0 0 0 0 0 0 0 0 0 -14.5865 -2.6481 -0.2781 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.9035 -2.8729 -0.7168 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.5590 -1.8775 1.8836 C 0 0 1 0 0 0 0 0 0 0 0 0 -16.5621 -2.6103 2.4989 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.9000 -0.8876 2.8280 C 0 0 2 0 0 0 0 0 0 0 0 0 -15.7878 0.0750 3.2657 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.7099 -0.2496 2.1869 C 0 0 2 0 0 0 0 0 0 0 0 0 -14.1232 0.4976 1.0546 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.2559 -1.8132 -0.4099 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.4087 -2.5906 0.4332 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.2956 -3.3387 -5.4703 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6156 -1.7291 -5.9418 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2651 -1.8847 -5.1746 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9453 -0.8707 -2.9526 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4847 -2.0334 -1.6584 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3909 0.3522 -2.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5681 0.7957 -1.7958 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3306 -1.3548 0.2232 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8895 -1.6076 -2.1117 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4862 -0.4681 -2.0848 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5979 -2.4786 -1.7037 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4892 0.6320 -0.7156 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7372 -1.0672 -0.6451 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2745 2.1806 -2.8403 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2489 -1.1527 0.6435 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4533 -0.8671 -0.6026 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7181 -0.3451 2.4236 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5549 -1.5908 1.4919 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9830 0.2376 2.0262 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7293 2.0879 0.0829 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6971 2.4097 1.5531 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9247 1.9854 1.6875 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2427 -1.0534 -0.0912 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1157 0.1235 -0.9417 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8955 1.8754 -0.7303 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4453 0.3318 -1.5531 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4073 -0.4428 0.7126 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0156 3.1235 -0.5329 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2883 3.6384 1.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6463 3.2435 0.6856 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0893 0.1510 2.0432 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7630 1.7696 2.8679 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1463 1.5706 2.0699 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1598 2.8349 1.1687 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7570 1.1418 -0.7124 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2233 0.9274 1.0371 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1103 -0.1560 1.9088 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1573 -0.8777 0.6964 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7298 -0.3057 -2.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6649 -1.5901 -1.2632 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8570 0.8993 -2.6203 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8181 -0.8021 -3.1796 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2352 -1.5660 -1.2847 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5345 2.4361 -1.0287 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8947 1.8985 -2.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7559 2.1139 -1.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1657 0.3034 -0.9937 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1718 0.4961 0.5557 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1937 -2.0568 -1.1655 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4042 -1.7207 0.4647 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6822 -1.4828 1.5247 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8949 -3.9607 -1.6657 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0760 -3.8910 -1.3957 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9406 -2.5301 -2.1288 H 0 0 0 0 0 0 0 0 0 0 0 0 20.4080 -2.5293 0.5207 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2584 -3.1741 1.8072 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7880 -4.2075 0.4113 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8010 2.5580 -1.0854 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4981 3.0270 1.8939 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4753 6.3052 1.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2696 6.3471 1.4253 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1701 5.2934 2.3538 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4103 1.4279 1.1831 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8546 2.6629 -0.7424 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6781 1.1327 -0.2832 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1949 2.6190 0.7494 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0411 1.3674 1.2473 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5055 2.0439 2.2552 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5749 -0.8693 1.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8599 -1.2485 2.4434 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7840 -3.7933 1.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2227 -1.6596 -0.6501 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9538 -3.4204 -0.7745 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3366 -2.0004 -0.8487 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0308 -1.2727 1.0827 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.2055 -3.2843 3.1252 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5572 -1.4638 3.7115 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5854 0.4866 4.1245 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2354 0.5058 2.8744 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5094 1.3645 1.3869 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0125 -2.5087 -0.8771 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8301 -1.9861 0.9286 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 9 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 15 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 19 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 25 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 30 31 1 0 30 32 1 0 32 33 1 0 33 34 1 0 34 35 2 0 35 36 1 0 35 37 1 0 37 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 40 42 1 0 42 43 1 0 43 44 1 0 44 45 2 3 45 46 1 0 45 47 1 0 13 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 50 52 2 0 48 53 1 0 53 54 1 0 6 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 56 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 63 64 1 0 64 65 1 0 63 66 1 0 66 67 1 0 66 68 1 0 68 69 1 0 68 70 1 0 70 71 1 0 59 72 1 0 72 73 1 0 72 5 1 0 53 8 1 0 70 61 1 0 1 74 1 0 1 75 1 0 1 76 1 0 4 77 1 0 5 78 1 6 6 79 1 6 8 80 1 6 9 81 1 1 10 82 1 0 10 83 1 0 11 84 1 0 13 85 1 6 17 86 1 0 21 87 1 0 23 88 1 0 23 89 1 0 24 90 1 0 24 91 1 0 25 92 1 0 26 93 1 0 26 94 1 0 26 95 1 0 27 96 1 0 27 97 1 0 28 98 1 0 28 99 1 0 29100 1 0 31101 1 0 31102 1 0 31103 1 0 32104 1 0 32105 1 0 33106 1 0 33107 1 0 34108 1 0 36109 1 0 36110 1 0 36111 1 0 37112 1 0 37113 1 0 38114 1 0 38115 1 0 39116 1 0 41117 1 0 41118 1 0 41119 1 0 42120 1 0 42121 1 0 43122 1 0 43123 1 0 44124 1 0 46125 1 0 46126 1 0 46127 1 0 47128 1 0 47129 1 0 47130 1 0 48131 1 6 49132 1 0 51133 1 0 51134 1 0 51135 1 0 53136 1 1 54137 1 0 56138 1 6 57139 1 0 57140 1 0 58141 1 0 59142 1 1 61143 1 1 63144 1 6 64145 1 0 64146 1 0 65147 1 0 66148 1 6 67149 1 0 68150 1 1 69151 1 0 70152 1 1 71153 1 0 72154 1 6 73155 1 0 M END 3D SDF for HMDB0011673 (Beta-1,4-D-Mannosylchitobiosyldiphosphodolichol)Mrv0541 02241201502D 73 75 0 0 1 0 999 V2000 15.1607 -15.6337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2096 -14.8101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9473 -14.4406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6361 -14.8948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3737 -14.5253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0625 -14.9794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0136 -15.8029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8001 -14.6100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4889 -15.0640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2266 -14.6946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9153 -15.1487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8665 -15.9723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6530 -14.7793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3418 -15.2334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0794 -14.8639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7682 -15.3180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7193 -16.1416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5058 -14.9486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1946 -15.4027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9323 -15.0332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6211 -15.4873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.3587 -15.1179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5722 -16.3108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5208 -14.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7832 -14.7254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0944 -14.2713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3568 -14.6408 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 12.7262 -15.3785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6191 -15.0103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9873 -13.9031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1638 -13.8543 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 11.2126 -13.0307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1149 -14.6778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3402 -13.8054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5859 -14.3098 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6368 -15.1331 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9661 -15.6134 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2147 -15.2728 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1638 -14.4496 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8345 -13.9691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4124 -14.1089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3318 -13.2878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5440 -15.7531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7648 -16.3231 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8415 -17.1445 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1685 -17.6217 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4188 -17.2774 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3420 -16.4560 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0151 -15.9788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5923 -16.1117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5635 -15.5359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6959 -17.8203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9337 -18.3413 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9939 -19.1641 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3114 -19.6277 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5687 -19.2684 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5086 -18.4456 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1910 -17.9821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7659 -18.0863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7152 -17.3774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8863 -19.7319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3716 -20.4505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7366 -19.5234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2452 -18.4431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5913 -17.4888 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6679 -18.3103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9949 -18.7874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4177 -18.6545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0105 -16.3474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3882 -15.4737 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4391 -16.2969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7516 -16.7527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1775 -16.6645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 31 34 1 0 0 0 0 35 34 1 6 0 0 0 35 36 1 0 0 0 0 35 40 1 0 0 0 0 36 37 1 0 0 0 0 36 70 1 6 0 0 0 37 38 1 0 0 0 0 37 69 1 1 0 0 0 38 39 1 0 0 0 0 38 43 1 6 0 0 0 39 40 1 0 0 0 0 39 41 1 1 0 0 0 41 42 1 0 0 0 0 44 43 1 1 0 0 0 44 45 1 0 0 0 0 44 49 1 0 0 0 0 45 46 1 0 0 0 0 45 65 1 6 0 0 0 46 47 1 0 0 0 0 46 64 1 1 0 0 0 47 48 1 0 0 0 0 47 52 1 6 0 0 0 48 49 1 0 0 0 0 48 50 1 1 0 0 0 50 51 1 0 0 0 0 53 52 1 1 0 0 0 53 54 1 0 0 0 0 53 58 1 0 0 0 0 54 55 1 0 0 0 0 54 63 1 1 0 0 0 55 56 1 0 0 0 0 55 62 1 1 0 0 0 56 57 1 0 0 0 0 56 61 1 6 0 0 0 57 58 1 0 0 0 0 57 59 1 1 0 0 0 59 60 1 0 0 0 0 65 66 1 0 0 0 0 66 67 2 0 0 0 0 66 68 1 0 0 0 0 70 71 1 0 0 0 0 71 72 2 0 0 0 0 71 73 1 0 0 0 0 M END > <DATABASE_ID> HMDB0011673 > <DATABASE_NAME> hmdb > <SMILES> OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]2CO)O[C@H]2[C@H](O)[C@@H](NC(=O)C)[C@H](O[C@@H]2CO)OP(=O)(O)OP(=O)(O)OCCC(C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)[C@@H](O)[C@@H](O)[C@@H]1O > <INCHI_IDENTIFIER> InChI=1S/C47H82N2O22P2/c1-26(2)13-9-14-27(3)15-10-16-28(4)17-11-18-29(5)19-12-20-30(6)21-22-64-72(60,61)71-73(62,63)70-46-37(49-32(8)54)40(57)43(35(25-52)67-46)68-45-36(48-31(7)53)39(56)44(34(24-51)66-45)69-47-42(59)41(58)38(55)33(23-50)65-47/h13,15,17,19,30,33-47,50-52,55-59H,9-12,14,16,18,20-25H2,1-8H3,(H,48,53)(H,49,54)(H,60,61)(H,62,63)/b27-15+,28-17+,29-19+/t30?,33-,34-,35-,36-,37-,38-,39-,40-,41+,42+,43-,44-,45+,46-,47+/m1/s1 > <INCHI_KEY> CMBCFQGXXHOGEH-LSMBNOQWSA-N > <FORMULA> C47H82N2O22P2 > <MOLECULAR_WEIGHT> 1089.1017 > <EXACT_MASS> 1088.483445342 > <JCHEM_ACCEPTOR_COUNT> 19 > <JCHEM_AVERAGE_POLARIZABILITY> 112.14197515823128 > <JCHEM_BIOAVAILABILITY> 0 > <JCHEM_DONOR_COUNT> 12 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_IUPAC> {[(2R,3R,4R,5S,6R)-3-acetamido-5-{[(2S,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-{[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}({[hydroxy({[(6E,10E,14E)-3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraen-1-yl]oxy})phosphoryl]oxy})phosphinic acid > <ALOGPS_LOGP> 1.84 > <JCHEM_LOGP> 1.0320905266666662 > <ALOGPS_LOGS> -3.85 > <JCHEM_MDDR_LIKE_RULE> 1 > <JCHEM_NUMBER_OF_RINGS> 3 > <JCHEM_PHYSIOLOGICAL_CHARGE> -2 > <JCHEM_PKA> 3.171781737140521 > <JCHEM_PKA_STRONGEST_ACIDIC> 1.7444953207900582 > <JCHEM_PKA_STRONGEST_BASIC> -3.52536536954484 > <JCHEM_POLAR_SURFACE_AREA> 368.4799999999999 > <JCHEM_REFRACTIVITY> 262.8133000000001 > <JCHEM_ROTATABLE_BOND_COUNT> 29 > <JCHEM_RULE_OF_FIVE> 0 > <ALOGPS_SOLUBILITY> 1.55e-01 g/l > <JCHEM_TRADITIONAL_IUPAC> [(2R,3R,4R,5S,6R)-3-acetamido-5-{[(2S,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-{[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy({hydroxy[(6E,10E,14E)-3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraen-1-yl]oxyphosphoryl}oxy)phosphinic acid > <JCHEM_VEBER_RULE> 0 $$$$ 3D-SDF for HMDB0011673 (Beta-1,4-D-Mannosylchitobiosyldiphosphodolichol)HMDB0011673 RDKit 3D Beta-1,4-D-Mannosylchitobiosyldiphosphodolichol 155157 0 0 0 0 0 0 0 0999 V2000 -10.2243 -2.2625 -5.1876 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5586 -2.1794 -3.8731 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4957 -2.8242 -3.6957 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.0681 -1.4025 -2.8020 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.3878 -1.3444 -1.5247 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.8635 0.0701 -1.3741 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.9648 0.1883 -0.3522 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6864 0.5997 -0.7294 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.7516 -0.5377 -0.2880 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.0691 -1.1790 -1.4773 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3132 -2.2676 -1.0307 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8065 -0.1194 0.6024 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0340 0.9680 0.1791 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.1174 1.1796 1.2187 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6124 0.5995 0.7837 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.6306 0.6920 1.9544 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6919 -1.0357 0.3480 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9802 1.5083 -0.4636 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5059 0.8998 -1.0024 P 0 0 0 0 0 5 0 0 0 0 0 0 0.3731 -0.4513 -1.6202 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0324 1.9491 -2.2525 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6424 0.8366 0.2356 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1045 -0.4617 0.3543 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1311 -0.5544 1.4208 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3206 0.3572 1.1725 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8763 1.8123 1.1365 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9087 0.0203 -0.1478 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1231 0.7993 -0.5753 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2035 0.5826 0.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9208 1.5375 0.9213 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6916 2.9505 0.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0177 1.2407 1.9294 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3399 1.7450 1.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5249 1.0095 0.0713 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5645 0.2165 -0.1402 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5737 0.0579 0.9161 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6491 -0.4829 -1.4418 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8419 -0.1516 -2.2587 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0809 -0.5183 -1.5312 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0172 0.3509 -1.1712 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7813 1.7957 -1.5379 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2568 -0.0129 -0.4374 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2444 -1.4869 -0.1976 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4840 -1.8909 0.5571 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3124 -2.7560 -0.0129 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0494 -3.3240 -1.3564 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5325 -3.1656 0.7186 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8783 2.1571 -0.0760 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.6362 3.2299 0.8983 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5930 4.5578 0.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3570 5.7063 1.3425 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7531 4.7976 -0.7995 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3374 1.7812 0.1379 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.1717 2.8764 -0.0359 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.9356 0.8889 -1.2096 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.6494 0.6512 -0.0833 C 0 0 2 0 0 0 0 0 0 0 0 0 -10.0978 1.5378 1.0287 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7756 1.3716 2.2301 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.9131 -0.7269 0.3472 C 0 0 1 0 0 0 0 0 0 0 0 0 -12.3005 -0.9396 0.4417 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.7295 -1.2697 1.7259 C 0 0 2 0 0 0 0 0 0 0 0 0 -13.2550 -2.5243 1.7028 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.4961 -2.7347 1.2237 C 0 0 2 0 0 0 0 0 0 0 0 0 -14.5865 -2.6481 -0.2781 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.9035 -2.8729 -0.7168 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.5590 -1.8775 1.8836 C 0 0 1 0 0 0 0 0 0 0 0 0 -16.5621 -2.6103 2.4989 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.9000 -0.8876 2.8280 C 0 0 2 0 0 0 0 0 0 0 0 0 -15.7878 0.0750 3.2657 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.7099 -0.2496 2.1869 C 0 0 2 0 0 0 0 0 0 0 0 0 -14.1232 0.4976 1.0546 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.2559 -1.8132 -0.4099 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.4087 -2.5906 0.4332 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.2956 -3.3387 -5.4703 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6156 -1.7291 -5.9418 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2651 -1.8847 -5.1746 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9453 -0.8707 -2.9526 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4847 -2.0334 -1.6584 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3909 0.3522 -2.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5681 0.7957 -1.7958 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3306 -1.3548 0.2232 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8895 -1.6076 -2.1117 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4862 -0.4681 -2.0848 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5979 -2.4786 -1.7037 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4892 0.6320 -0.7156 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7372 -1.0672 -0.6451 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2745 2.1806 -2.8403 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2489 -1.1527 0.6435 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4533 -0.8671 -0.6026 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7181 -0.3451 2.4236 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5549 -1.5908 1.4919 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9830 0.2376 2.0262 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7293 2.0879 0.0829 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6971 2.4097 1.5531 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9247 1.9854 1.6875 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2427 -1.0534 -0.0912 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1157 0.1235 -0.9417 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8955 1.8754 -0.7303 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4453 0.3318 -1.5531 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4073 -0.4428 0.7126 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0156 3.1235 -0.5329 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2883 3.6384 1.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6463 3.2435 0.6856 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0893 0.1510 2.0432 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7630 1.7696 2.8679 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1463 1.5706 2.0699 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1598 2.8349 1.1687 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7570 1.1418 -0.7124 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2233 0.9274 1.0371 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1103 -0.1560 1.9088 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1573 -0.8777 0.6964 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7298 -0.3057 -2.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6649 -1.5901 -1.2632 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8570 0.8993 -2.6203 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8181 -0.8021 -3.1796 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2352 -1.5660 -1.2847 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5345 2.4361 -1.0287 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8947 1.8985 -2.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7559 2.1139 -1.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1657 0.3034 -0.9937 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1718 0.4961 0.5557 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1937 -2.0568 -1.1655 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4042 -1.7207 0.4647 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6822 -1.4828 1.5247 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8949 -3.9607 -1.6657 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0760 -3.8910 -1.3957 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9406 -2.5301 -2.1288 H 0 0 0 0 0 0 0 0 0 0 0 0 20.4080 -2.5293 0.5207 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2584 -3.1741 1.8072 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7880 -4.2075 0.4113 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8010 2.5580 -1.0854 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4981 3.0270 1.8939 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4753 6.3052 1.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2696 6.3471 1.4253 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1701 5.2934 2.3538 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4103 1.4279 1.1831 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8546 2.6629 -0.7424 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6781 1.1327 -0.2832 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1949 2.6190 0.7494 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0411 1.3674 1.2473 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5055 2.0439 2.2552 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5749 -0.8693 1.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8599 -1.2485 2.4434 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7840 -3.7933 1.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2227 -1.6596 -0.6501 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9538 -3.4204 -0.7745 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3366 -2.0004 -0.8487 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0308 -1.2727 1.0827 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.2055 -3.2843 3.1252 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5572 -1.4638 3.7115 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5854 0.4866 4.1245 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2354 0.5058 2.8744 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5094 1.3645 1.3869 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0125 -2.5087 -0.8771 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8301 -1.9861 0.9286 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 9 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 15 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 19 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 25 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 30 31 1 0 30 32 1 0 32 33 1 0 33 34 1 0 34 35 2 0 35 36 1 0 35 37 1 0 37 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 40 42 1 0 42 43 1 0 43 44 1 0 44 45 2 3 45 46 1 0 45 47 1 0 13 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 50 52 2 0 48 53 1 0 53 54 1 0 6 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 56 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 63 64 1 0 64 65 1 0 63 66 1 0 66 67 1 0 66 68 1 0 68 69 1 0 68 70 1 0 70 71 1 0 59 72 1 0 72 73 1 0 72 5 1 0 53 8 1 0 70 61 1 0 1 74 1 0 1 75 1 0 1 76 1 0 4 77 1 0 5 78 1 6 6 79 1 6 8 80 1 6 9 81 1 1 10 82 1 0 10 83 1 0 11 84 1 0 13 85 1 6 17 86 1 0 21 87 1 0 23 88 1 0 23 89 1 0 24 90 1 0 24 91 1 0 25 92 1 0 26 93 1 0 26 94 1 0 26 95 1 0 27 96 1 0 27 97 1 0 28 98 1 0 28 99 1 0 29100 1 0 31101 1 0 31102 1 0 31103 1 0 32104 1 0 32105 1 0 33106 1 0 33107 1 0 34108 1 0 36109 1 0 36110 1 0 36111 1 0 37112 1 0 37113 1 0 38114 1 0 38115 1 0 39116 1 0 41117 1 0 41118 1 0 41119 1 0 42120 1 0 42121 1 0 43122 1 0 43123 1 0 44124 1 0 46125 1 0 46126 1 0 46127 1 0 47128 1 0 47129 1 0 47130 1 0 48131 1 6 49132 1 0 51133 1 0 51134 1 0 51135 1 0 53136 1 1 54137 1 0 56138 1 6 57139 1 0 57140 1 0 58141 1 0 59142 1 1 61143 1 1 63144 1 6 64145 1 0 64146 1 0 65147 1 0 66148 1 6 67149 1 0 68150 1 1 69151 1 0 70152 1 1 71153 1 0 72154 1 6 73155 1 0 M END PDB for HMDB0011673 (Beta-1,4-D-Mannosylchitobiosyldiphosphodolichol)HEADER PROTEIN 24-FEB-12 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 24-FEB-12 0 HETATM 1 C UNK 0 28.300 -29.183 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 28.391 -27.646 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 29.768 -26.956 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 31.054 -27.804 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 32.431 -27.114 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 33.717 -27.962 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 33.625 -29.499 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 35.094 -27.272 0.000 0.00 0.00 C+0 HETATM 9 C UNK 0 36.379 -28.119 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 37.756 -27.430 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 39.042 -28.278 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 38.951 -29.815 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 40.419 -27.588 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 41.705 -28.436 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 43.082 -27.746 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 44.367 -28.594 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 44.276 -30.131 0.000 0.00 0.00 C+0 HETATM 18 C UNK 0 45.744 -27.904 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 47.030 -28.752 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 48.407 -28.062 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 49.693 -28.910 0.000 0.00 0.00 C+0 HETATM 22 C UNK 0 51.070 -28.220 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 49.601 -30.447 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 27.105 -26.798 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 25.729 -27.487 0.000 0.00 0.00 C+0 HETATM 26 O UNK 0 24.443 -26.640 0.000 0.00 0.00 O+0 HETATM 27 P UNK 0 23.066 -27.329 0.000 0.00 0.00 P+0 HETATM 28 O UNK 0 23.756 -28.707 0.000 0.00 0.00 O+0 HETATM 29 O UNK 0 21.689 -28.019 0.000 0.00 0.00 O+0 HETATM 30 O UNK 0 22.376 -25.952 0.000 0.00 0.00 O+0 HETATM 31 P UNK 0 20.839 -25.861 0.000 0.00 0.00 P+0 HETATM 32 O UNK 0 20.930 -24.324 0.000 0.00 0.00 O+0 HETATM 33 O UNK 0 20.748 -27.399 0.000 0.00 0.00 O+0 HETATM 34 O UNK 0 19.302 -25.770 0.000 0.00 0.00 O+0 HETATM 35 C UNK 0 17.894 -26.712 0.000 0.00 0.00 C+0 HETATM 36 C UNK 0 17.989 -28.248 0.000 0.00 0.00 C+0 HETATM 37 C UNK 0 16.737 -29.145 0.000 0.00 0.00 C+0 HETATM 38 C UNK 0 15.334 -28.509 0.000 0.00 0.00 C+0 HETATM 39 C UNK 0 15.239 -26.973 0.000 0.00 0.00 C+0 HETATM 40 O UNK 0 16.491 -26.076 0.000 0.00 0.00 O+0 HETATM 41 C UNK 0 13.836 -26.337 0.000 0.00 0.00 C+0 HETATM 42 O UNK 0 13.686 -24.804 0.000 0.00 0.00 O+0 HETATM 43 O UNK 0 14.082 -29.406 0.000 0.00 0.00 O+0 HETATM 44 C UNK 0 12.628 -30.470 0.000 0.00 0.00 C+0 HETATM 45 C UNK 0 12.771 -32.003 0.000 0.00 0.00 C+0 HETATM 46 C UNK 0 11.515 -32.894 0.000 0.00 0.00 C+0 HETATM 47 C UNK 0 10.115 -32.251 0.000 0.00 0.00 C+0 HETATM 48 C UNK 0 9.972 -30.718 0.000 0.00 0.00 C+0 HETATM 49 O UNK 0 11.228 -29.827 0.000 0.00 0.00 O+0 HETATM 50 C UNK 0 8.572 -30.075 0.000 0.00 0.00 C+0 HETATM 51 O UNK 0 8.519 -29.000 0.000 0.00 0.00 O+0 HETATM 52 O UNK 0 8.766 -33.265 0.000 0.00 0.00 O+0 HETATM 53 C UNK 0 7.343 -34.237 0.000 0.00 0.00 C+0 HETATM 54 C UNK 0 7.455 -35.773 0.000 0.00 0.00 C+0 HETATM 55 C UNK 0 6.181 -36.638 0.000 0.00 0.00 C+0 HETATM 56 C UNK 0 4.795 -35.968 0.000 0.00 0.00 C+0 HETATM 57 C UNK 0 4.683 -34.432 0.000 0.00 0.00 C+0 HETATM 58 O UNK 0 5.957 -33.567 0.000 0.00 0.00 O+0 HETATM 59 C UNK 0 3.296 -33.761 0.000 0.00 0.00 C+0 HETATM 60 O UNK 0 3.202 -32.438 0.000 0.00 0.00 O+0 HETATM 61 O UNK 0 3.521 -36.833 0.000 0.00 0.00 O+0 HETATM 62 O UNK 0 6.294 -38.174 0.000 0.00 0.00 O+0 HETATM 63 O UNK 0 8.842 -36.444 0.000 0.00 0.00 O+0 HETATM 64 O UNK 0 11.658 -34.427 0.000 0.00 0.00 O+0 HETATM 65 N UNK 0 14.170 -32.646 0.000 0.00 0.00 N+0 HETATM 66 C UNK 0 14.313 -34.179 0.000 0.00 0.00 C+0 HETATM 67 O UNK 0 13.057 -35.070 0.000 0.00 0.00 O+0 HETATM 68 C UNK 0 15.713 -34.822 0.000 0.00 0.00 C+0 HETATM 69 O UNK 0 16.820 -30.515 0.000 0.00 0.00 O+0 HETATM 70 N UNK 0 19.391 -28.884 0.000 0.00 0.00 N+0 HETATM 71 C UNK 0 19.486 -30.421 0.000 0.00 0.00 C+0 HETATM 72 O UNK 0 18.203 -31.272 0.000 0.00 0.00 O+0 HETATM 73 C UNK 0 20.865 -31.107 0.000 0.00 0.00 C+0 CONECT 1 2 CONECT 2 1 3 24 CONECT 3 2 4 CONECT 4 3 5 CONECT 5 4 6 CONECT 6 5 7 8 CONECT 7 6 CONECT 8 6 9 CONECT 9 8 10 CONECT 10 9 11 CONECT 11 10 12 13 CONECT 12 11 CONECT 13 11 14 CONECT 14 13 15 CONECT 15 14 16 CONECT 16 15 17 18 CONECT 17 16 CONECT 18 16 19 CONECT 19 18 20 CONECT 20 19 21 CONECT 21 20 22 23 CONECT 22 21 CONECT 23 21 CONECT 24 2 25 CONECT 25 24 26 CONECT 26 25 27 CONECT 27 26 28 29 30 CONECT 28 27 CONECT 29 27 CONECT 30 27 31 CONECT 31 30 32 33 34 CONECT 32 31 CONECT 33 31 CONECT 34 31 35 CONECT 35 34 36 40 CONECT 36 35 37 70 CONECT 37 36 38 69 CONECT 38 37 39 43 CONECT 39 38 40 41 CONECT 40 35 39 CONECT 41 39 42 CONECT 42 41 CONECT 43 38 44 CONECT 44 43 45 49 CONECT 45 44 46 65 CONECT 46 45 47 64 CONECT 47 46 48 52 CONECT 48 47 49 50 CONECT 49 44 48 CONECT 50 48 51 CONECT 51 50 CONECT 52 47 53 CONECT 53 52 54 58 CONECT 54 53 55 63 CONECT 55 54 56 62 CONECT 56 55 57 61 CONECT 57 56 58 59 CONECT 58 53 57 CONECT 59 57 60 CONECT 60 59 CONECT 61 56 CONECT 62 55 CONECT 63 54 CONECT 64 46 CONECT 65 45 66 CONECT 66 65 67 68 CONECT 67 66 CONECT 68 66 CONECT 69 37 CONECT 70 36 71 CONECT 71 70 72 73 CONECT 72 71 CONECT 73 71 MASTER 0 0 0 0 0 0 0 0 73 0 150 0 END 3D PDB for HMDB0011673 (Beta-1,4-D-Mannosylchitobiosyldiphosphodolichol)COMPND HMDB0011673 HETATM 1 C1 UNL 1 -10.224 -2.263 -5.188 1.00 0.00 C HETATM 2 C2 UNL 1 -9.559 -2.179 -3.873 1.00 0.00 C HETATM 3 O1 UNL 1 -8.496 -2.824 -3.696 1.00 0.00 O HETATM 4 N1 UNL 1 -10.068 -1.402 -2.802 1.00 0.00 N HETATM 5 C3 UNL 1 -9.388 -1.344 -1.525 1.00 0.00 C HETATM 6 C4 UNL 1 -8.864 0.070 -1.374 1.00 0.00 C HETATM 7 O2 UNL 1 -7.965 0.188 -0.352 1.00 0.00 O HETATM 8 C5 UNL 1 -6.686 0.600 -0.729 1.00 0.00 C HETATM 9 C6 UNL 1 -5.752 -0.538 -0.288 1.00 0.00 C HETATM 10 C7 UNL 1 -5.069 -1.179 -1.477 1.00 0.00 C HETATM 11 O3 UNL 1 -4.313 -2.268 -1.031 1.00 0.00 O HETATM 12 O4 UNL 1 -4.806 -0.119 0.602 1.00 0.00 O HETATM 13 C8 UNL 1 -4.034 0.968 0.179 1.00 0.00 C HETATM 14 O5 UNL 1 -3.117 1.180 1.219 1.00 0.00 O HETATM 15 P1 UNL 1 -1.612 0.600 0.784 1.00 0.00 P HETATM 16 O6 UNL 1 -0.631 0.692 1.954 1.00 0.00 O HETATM 17 O7 UNL 1 -1.692 -1.036 0.348 1.00 0.00 O HETATM 18 O8 UNL 1 -0.980 1.508 -0.464 1.00 0.00 O HETATM 19 P2 UNL 1 0.506 0.900 -1.002 1.00 0.00 P HETATM 20 O9 UNL 1 0.373 -0.451 -1.620 1.00 0.00 O HETATM 21 O10 UNL 1 1.032 1.949 -2.253 1.00 0.00 O HETATM 22 O11 UNL 1 1.642 0.837 0.236 1.00 0.00 O HETATM 23 C9 UNL 1 2.105 -0.462 0.354 1.00 0.00 C HETATM 24 C10 UNL 1 3.131 -0.554 1.421 1.00 0.00 C HETATM 25 C11 UNL 1 4.321 0.357 1.172 1.00 0.00 C HETATM 26 C12 UNL 1 3.876 1.812 1.137 1.00 0.00 C HETATM 27 C13 UNL 1 4.909 0.020 -0.148 1.00 0.00 C HETATM 28 C14 UNL 1 6.123 0.799 -0.575 1.00 0.00 C HETATM 29 C15 UNL 1 7.203 0.583 0.404 1.00 0.00 C HETATM 30 C16 UNL 1 7.921 1.538 0.921 1.00 0.00 C HETATM 31 C17 UNL 1 7.692 2.951 0.540 1.00 0.00 C HETATM 32 C18 UNL 1 9.018 1.241 1.929 1.00 0.00 C HETATM 33 C19 UNL 1 10.340 1.745 1.337 1.00 0.00 C HETATM 34 C20 UNL 1 10.525 1.010 0.071 1.00 0.00 C HETATM 35 C21 UNL 1 11.564 0.217 -0.140 1.00 0.00 C HETATM 36 C22 UNL 1 12.574 0.058 0.916 1.00 0.00 C HETATM 37 C23 UNL 1 11.649 -0.483 -1.442 1.00 0.00 C HETATM 38 C24 UNL 1 12.842 -0.152 -2.259 1.00 0.00 C HETATM 39 C25 UNL 1 14.081 -0.518 -1.531 1.00 0.00 C HETATM 40 C26 UNL 1 15.017 0.351 -1.171 1.00 0.00 C HETATM 41 C27 UNL 1 14.781 1.796 -1.538 1.00 0.00 C HETATM 42 C28 UNL 1 16.257 -0.013 -0.437 1.00 0.00 C HETATM 43 C29 UNL 1 16.244 -1.487 -0.198 1.00 0.00 C HETATM 44 C30 UNL 1 17.484 -1.891 0.557 1.00 0.00 C HETATM 45 C31 UNL 1 18.312 -2.756 -0.013 1.00 0.00 C HETATM 46 C32 UNL 1 18.049 -3.324 -1.356 1.00 0.00 C HETATM 47 C33 UNL 1 19.532 -3.166 0.719 1.00 0.00 C HETATM 48 C34 UNL 1 -4.878 2.157 -0.076 1.00 0.00 C HETATM 49 N2 UNL 1 -4.636 3.230 0.898 1.00 0.00 N HETATM 50 C35 UNL 1 -4.593 4.558 0.416 1.00 0.00 C HETATM 51 C36 UNL 1 -4.357 5.706 1.343 1.00 0.00 C HETATM 52 O12 UNL 1 -4.753 4.798 -0.799 1.00 0.00 O HETATM 53 C37 UNL 1 -6.337 1.781 0.138 1.00 0.00 C HETATM 54 O13 UNL 1 -7.172 2.876 -0.036 1.00 0.00 O HETATM 55 O14 UNL 1 -9.936 0.889 -1.210 1.00 0.00 O HETATM 56 C38 UNL 1 -10.649 0.651 -0.083 1.00 0.00 C HETATM 57 C39 UNL 1 -10.098 1.538 1.029 1.00 0.00 C HETATM 58 O15 UNL 1 -10.776 1.372 2.230 1.00 0.00 O HETATM 59 C40 UNL 1 -10.913 -0.727 0.347 1.00 0.00 C HETATM 60 O16 UNL 1 -12.301 -0.940 0.442 1.00 0.00 O HETATM 61 C41 UNL 1 -12.729 -1.270 1.726 1.00 0.00 C HETATM 62 O17 UNL 1 -13.255 -2.524 1.703 1.00 0.00 O HETATM 63 C42 UNL 1 -14.496 -2.735 1.224 1.00 0.00 C HETATM 64 C43 UNL 1 -14.587 -2.648 -0.278 1.00 0.00 C HETATM 65 O18 UNL 1 -15.904 -2.873 -0.717 1.00 0.00 O HETATM 66 C44 UNL 1 -15.559 -1.877 1.884 1.00 0.00 C HETATM 67 O19 UNL 1 -16.562 -2.610 2.499 1.00 0.00 O HETATM 68 C45 UNL 1 -14.900 -0.888 2.828 1.00 0.00 C HETATM 69 O20 UNL 1 -15.788 0.075 3.266 1.00 0.00 O HETATM 70 C46 UNL 1 -13.710 -0.250 2.187 1.00 0.00 C HETATM 71 O21 UNL 1 -14.123 0.498 1.055 1.00 0.00 O HETATM 72 C47 UNL 1 -10.256 -1.813 -0.410 1.00 0.00 C HETATM 73 O22 UNL 1 -9.409 -2.591 0.433 1.00 0.00 O HETATM 74 H1 UNL 1 -10.296 -3.339 -5.470 1.00 0.00 H HETATM 75 H2 UNL 1 -9.616 -1.729 -5.942 1.00 0.00 H HETATM 76 H3 UNL 1 -11.265 -1.885 -5.175 1.00 0.00 H HETATM 77 H4 UNL 1 -10.945 -0.871 -2.953 1.00 0.00 H HETATM 78 H5 UNL 1 -8.485 -2.033 -1.658 1.00 0.00 H HETATM 79 H6 UNL 1 -8.391 0.352 -2.365 1.00 0.00 H HETATM 80 H7 UNL 1 -6.568 0.796 -1.796 1.00 0.00 H HETATM 81 H8 UNL 1 -6.331 -1.355 0.223 1.00 0.00 H HETATM 82 H9 UNL 1 -5.890 -1.608 -2.112 1.00 0.00 H HETATM 83 H10 UNL 1 -4.486 -0.468 -2.085 1.00 0.00 H HETATM 84 H11 UNL 1 -3.598 -2.479 -1.704 1.00 0.00 H HETATM 85 H12 UNL 1 -3.489 0.632 -0.716 1.00 0.00 H HETATM 86 H13 UNL 1 -1.737 -1.067 -0.645 1.00 0.00 H HETATM 87 H14 UNL 1 0.274 2.181 -2.840 1.00 0.00 H HETATM 88 H15 UNL 1 1.249 -1.153 0.644 1.00 0.00 H HETATM 89 H16 UNL 1 2.453 -0.867 -0.603 1.00 0.00 H HETATM 90 H17 UNL 1 2.718 -0.345 2.424 1.00 0.00 H HETATM 91 H18 UNL 1 3.555 -1.591 1.492 1.00 0.00 H HETATM 92 H19 UNL 1 4.983 0.238 2.026 1.00 0.00 H HETATM 93 H20 UNL 1 3.729 2.088 0.083 1.00 0.00 H HETATM 94 H21 UNL 1 4.697 2.410 1.553 1.00 0.00 H HETATM 95 H22 UNL 1 2.925 1.985 1.687 1.00 0.00 H HETATM 96 H23 UNL 1 5.243 -1.053 -0.091 1.00 0.00 H HETATM 97 H24 UNL 1 4.116 0.124 -0.942 1.00 0.00 H HETATM 98 H25 UNL 1 5.896 1.875 -0.730 1.00 0.00 H HETATM 99 H26 UNL 1 6.445 0.332 -1.553 1.00 0.00 H HETATM 100 H27 UNL 1 7.407 -0.443 0.713 1.00 0.00 H HETATM 101 H28 UNL 1 8.016 3.123 -0.533 1.00 0.00 H HETATM 102 H29 UNL 1 8.288 3.638 1.211 1.00 0.00 H HETATM 103 H30 UNL 1 6.646 3.244 0.686 1.00 0.00 H HETATM 104 H31 UNL 1 9.089 0.151 2.043 1.00 0.00 H HETATM 105 H32 UNL 1 8.763 1.770 2.868 1.00 0.00 H HETATM 106 H33 UNL 1 11.146 1.571 2.070 1.00 0.00 H HETATM 107 H34 UNL 1 10.160 2.835 1.169 1.00 0.00 H HETATM 108 H35 UNL 1 9.757 1.142 -0.712 1.00 0.00 H HETATM 109 H36 UNL 1 13.223 0.927 1.037 1.00 0.00 H HETATM 110 H37 UNL 1 12.110 -0.156 1.909 1.00 0.00 H HETATM 111 H38 UNL 1 13.157 -0.878 0.696 1.00 0.00 H HETATM 112 H39 UNL 1 10.730 -0.306 -2.057 1.00 0.00 H HETATM 113 H40 UNL 1 11.665 -1.590 -1.263 1.00 0.00 H HETATM 114 H41 UNL 1 12.857 0.899 -2.620 1.00 0.00 H HETATM 115 H42 UNL 1 12.818 -0.802 -3.180 1.00 0.00 H HETATM 116 H43 UNL 1 14.235 -1.566 -1.285 1.00 0.00 H HETATM 117 H44 UNL 1 15.535 2.436 -1.029 1.00 0.00 H HETATM 118 H45 UNL 1 14.895 1.899 -2.628 1.00 0.00 H HETATM 119 H46 UNL 1 13.756 2.114 -1.255 1.00 0.00 H HETATM 120 H47 UNL 1 17.166 0.303 -0.994 1.00 0.00 H HETATM 121 H48 UNL 1 16.172 0.496 0.556 1.00 0.00 H HETATM 122 H49 UNL 1 16.194 -2.057 -1.166 1.00 0.00 H HETATM 123 H50 UNL 1 15.404 -1.721 0.465 1.00 0.00 H HETATM 124 H51 UNL 1 17.682 -1.483 1.525 1.00 0.00 H HETATM 125 H52 UNL 1 18.895 -3.961 -1.666 1.00 0.00 H HETATM 126 H53 UNL 1 17.076 -3.891 -1.396 1.00 0.00 H HETATM 127 H54 UNL 1 17.941 -2.530 -2.129 1.00 0.00 H HETATM 128 H55 UNL 1 20.408 -2.529 0.521 1.00 0.00 H HETATM 129 H56 UNL 1 19.258 -3.174 1.807 1.00 0.00 H HETATM 130 H57 UNL 1 19.788 -4.208 0.411 1.00 0.00 H HETATM 131 H58 UNL 1 -4.801 2.558 -1.085 1.00 0.00 H HETATM 132 H59 UNL 1 -4.498 3.027 1.894 1.00 0.00 H HETATM 133 H60 UNL 1 -3.475 6.305 1.067 1.00 0.00 H HETATM 134 H61 UNL 1 -5.270 6.347 1.425 1.00 0.00 H HETATM 135 H62 UNL 1 -4.170 5.293 2.354 1.00 0.00 H HETATM 136 H63 UNL 1 -6.410 1.428 1.183 1.00 0.00 H HETATM 137 H64 UNL 1 -7.855 2.663 -0.742 1.00 0.00 H HETATM 138 H65 UNL 1 -11.678 1.133 -0.283 1.00 0.00 H HETATM 139 H66 UNL 1 -10.195 2.619 0.749 1.00 0.00 H HETATM 140 H67 UNL 1 -9.041 1.367 1.247 1.00 0.00 H HETATM 141 H68 UNL 1 -11.506 2.044 2.255 1.00 0.00 H HETATM 142 H69 UNL 1 -10.575 -0.869 1.433 1.00 0.00 H HETATM 143 H70 UNL 1 -11.860 -1.248 2.443 1.00 0.00 H HETATM 144 H71 UNL 1 -14.784 -3.793 1.499 1.00 0.00 H HETATM 145 H72 UNL 1 -14.223 -1.660 -0.650 1.00 0.00 H HETATM 146 H73 UNL 1 -13.954 -3.420 -0.775 1.00 0.00 H HETATM 147 H74 UNL 1 -16.337 -2.000 -0.849 1.00 0.00 H HETATM 148 H75 UNL 1 -16.031 -1.273 1.083 1.00 0.00 H HETATM 149 H76 UNL 1 -16.205 -3.284 3.125 1.00 0.00 H HETATM 150 H77 UNL 1 -14.557 -1.464 3.711 1.00 0.00 H HETATM 151 H78 UNL 1 -15.585 0.487 4.125 1.00 0.00 H HETATM 152 H79 UNL 1 -13.235 0.506 2.874 1.00 0.00 H HETATM 153 H80 UNL 1 -14.509 1.365 1.387 1.00 0.00 H HETATM 154 H81 UNL 1 -11.012 -2.509 -0.877 1.00 0.00 H HETATM 155 H82 UNL 1 -8.830 -1.986 0.929 1.00 0.00 H CONECT 1 2 74 75 76 CONECT 2 3 3 4 CONECT 4 5 77 CONECT 5 6 72 78 CONECT 6 7 55 79 CONECT 7 8 CONECT 8 9 53 80 CONECT 9 10 12 81 CONECT 10 11 82 83 CONECT 11 84 CONECT 12 13 CONECT 13 14 48 85 CONECT 14 15 CONECT 15 16 16 17 18 CONECT 17 86 CONECT 18 19 CONECT 19 20 20 21 22 CONECT 21 87 CONECT 22 23 CONECT 23 24 88 89 CONECT 24 25 90 91 CONECT 25 26 27 92 CONECT 26 93 94 95 CONECT 27 28 96 97 CONECT 28 29 98 99 CONECT 29 30 30 100 CONECT 30 31 32 CONECT 31 101 102 103 CONECT 32 33 104 105 CONECT 33 34 106 107 CONECT 34 35 35 108 CONECT 35 36 37 CONECT 36 109 110 111 CONECT 37 38 112 113 CONECT 38 39 114 115 CONECT 39 40 40 116 CONECT 40 41 42 CONECT 41 117 118 119 CONECT 42 43 120 121 CONECT 43 44 122 123 CONECT 44 45 45 124 CONECT 45 46 47 CONECT 46 125 126 127 CONECT 47 128 129 130 CONECT 48 49 53 131 CONECT 49 50 132 CONECT 50 51 52 52 CONECT 51 133 134 135 CONECT 53 54 136 CONECT 54 137 CONECT 55 56 CONECT 56 57 59 138 CONECT 57 58 139 140 CONECT 58 141 CONECT 59 60 72 142 CONECT 60 61 CONECT 61 62 70 143 CONECT 62 63 CONECT 63 64 66 144 CONECT 64 65 145 146 CONECT 65 147 CONECT 66 67 68 148 CONECT 67 149 CONECT 68 69 70 150 CONECT 69 151 CONECT 70 71 152 CONECT 71 153 CONECT 72 73 154 CONECT 73 155 END SMILES for HMDB0011673 (Beta-1,4-D-Mannosylchitobiosyldiphosphodolichol)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]2CO)O[C@H]2[C@H](O)[C@@H](NC(=O)C)[C@H](O[C@@H]2CO)OP(=O)(O)OP(=O)(O)OCCC(C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)[C@@H](O)[C@@H](O)[C@@H]1O INCHI for HMDB0011673 (Beta-1,4-D-Mannosylchitobiosyldiphosphodolichol)InChI=1S/C47H82N2O22P2/c1-26(2)13-9-14-27(3)15-10-16-28(4)17-11-18-29(5)19-12-20-30(6)21-22-64-72(60,61)71-73(62,63)70-46-37(49-32(8)54)40(57)43(35(25-52)67-46)68-45-36(48-31(7)53)39(56)44(34(24-51)66-45)69-47-42(59)41(58)38(55)33(23-50)65-47/h13,15,17,19,30,33-47,50-52,55-59H,9-12,14,16,18,20-25H2,1-8H3,(H,48,53)(H,49,54)(H,60,61)(H,62,63)/b27-15+,28-17+,29-19+/t30?,33-,34-,35-,36-,37-,38-,39-,40-,41+,42+,43-,44-,45+,46-,47+/m1/s1 3D Structure for HMDB0011673 (Beta-1,4-D-Mannosylchitobiosyldiphosphodolichol) | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Synonyms |
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemical Formula | C47H82N2O22P2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Average Molecular Weight | 1089.1017 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Monoisotopic Molecular Weight | 1088.483445342 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
IUPAC Name | {[(2R,3R,4R,5S,6R)-3-acetamido-5-{[(2S,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-{[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}({[hydroxy({[(6E,10E,14E)-3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraen-1-yl]oxy})phosphoryl]oxy})phosphinic acid | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Traditional Name | [(2R,3R,4R,5S,6R)-3-acetamido-5-{[(2S,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-{[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy({hydroxy[(6E,10E,14E)-3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraen-1-yl]oxyphosphoryl}oxy)phosphinic acid | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
CAS Registry Number | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
SMILES | OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]2CO)O[C@H]2[C@H](O)[C@@H](NC(=O)C)[C@H](O[C@@H]2CO)OP(=O)(O)OP(=O)(O)OCCC(C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)[C@@H](O)[C@@H](O)[C@@H]1O | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Identifier | InChI=1S/C47H82N2O22P2/c1-26(2)13-9-14-27(3)15-10-16-28(4)17-11-18-29(5)19-12-20-30(6)21-22-64-72(60,61)71-73(62,63)70-46-37(49-32(8)54)40(57)43(35(25-52)67-46)68-45-36(48-31(7)53)39(56)44(34(24-51)66-45)69-47-42(59)41(58)38(55)33(23-50)65-47/h13,15,17,19,30,33-47,50-52,55-59H,9-12,14,16,18,20-25H2,1-8H3,(H,48,53)(H,49,54)(H,60,61)(H,62,63)/b27-15+,28-17+,29-19+/t30?,33-,34-,35-,36-,37-,38-,39-,40-,41+,42+,43-,44-,45+,46-,47+/m1/s1 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Key | CMBCFQGXXHOGEH-LSMBNOQWSA-N | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemical Taxonomy | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Description | Belongs to the class of organic compounds known as acyclic diterpenoids. These are diterpenoids (compounds made of four consecutive isoprene units) that do not contain a cycle. | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Kingdom | Organic compounds | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Super Class | Lipids and lipid-like molecules | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Class | Prenol lipids | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Sub Class | Diterpenoids | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Direct Parent | Acyclic diterpenoids | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Alternative Parents | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Substituents |
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Molecular Framework | Aliphatic acyclic compounds | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
External Descriptors | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Ontology | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Not Available | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Physical Properties | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
State | Solid | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Experimental Molecular Properties |
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Experimental Chromatographic Properties | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Predicted Molecular Properties |
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Predicted Chromatographic Properties | Predicted Collision Cross Sections
Predicted Kovats Retention IndicesNot Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Spectra | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
MS/MS Spectra
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Biological Properties | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Cellular Locations |
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Biospecimen Locations | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Tissue Locations | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Pathways |
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Normal Concentrations | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Abnormal Concentrations | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Associated Disorders and Diseases | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Disease References | None | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Associated OMIM IDs | None | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
External Links | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
DrugBank ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Phenol Explorer Compound ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
FooDB ID | FDB028362 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
KNApSAcK ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemspider ID | 26333131 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
KEGG Compound ID | C05860 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
BioCyc ID | D-GALACTOSYL-14-D-GALACTOSYL-14-D- | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
BiGG ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Wikipedia Link | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
METLIN ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
PubChem Compound | 45259170 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
PDB ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
ChEBI ID | 18396 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Food Biomarker Ontology | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
VMH ID | MPDOL_L | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
MarkerDB ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Good Scents ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
References | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Synthesis Reference | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Material Safety Data Sheet (MSDS) | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
General References |
|
Enzymes
- General function:
- Involved in biosynthetic process
- Specific function:
- Participates in the formation of the lipid-linked precursor oligosaccharide for N-glycosylation. Involved in assembling the dolichol-pyrophosphate-GlcNAc(2)-Man(5) intermediate on the cytoplasmic surface of the ER.
- Gene Name:
- ALG1
- Uniprot ID:
- Q9BT22
- Molecular weight:
- 52517.685