Hmdb loader
You are using an unsupported browser. Please upgrade your browser to a newer version to get the best experience on Human Metabolome Database.
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2007-05-22 18:51:09 UTC
Update Date2021-09-14 15:46:58 UTC
HMDB IDHMDB0006239
Secondary Accession Numbers
  • HMDB06239
Metabolite Identification
Common NameS-aminomethyldihydrolipoamide
DescriptionS-aminomethyldihydrolipoamide belongs to the class of organic compounds known as fatty amides. These are carboxylic acid amide derivatives of fatty acids, that are formed from a fatty acid and an amine. Thus, S-aminomethyldihydrolipoamide is considered to be a fatty amide. Based on a literature review very few articles have been published on S-aminomethyldihydrolipoamide.
Structure
Data?1582752376
Synonyms
ValueSource
8-[(Aminomethyl)sulfanyl]-6-sulfanyloctanamideHMDB
Chemical FormulaC9H20N2OS2
Average Molecular Weight236.398
Monoisotopic Molecular Weight236.101704652
IUPAC Name8-[(aminomethyl)sulfanyl]-6-sulfanyloctanamide
Traditional Name8-[(aminomethyl)sulfanyl]-6-sulfanyloctanamide
CAS Registry NumberNot Available
SMILES
NCSCCC(S)CCCCC(N)=O
InChI Identifier
InChI=1S/C9H20N2OS2/c10-7-14-6-5-8(13)3-1-2-4-9(11)12/h8,13H,1-7,10H2,(H2,11,12)
InChI KeyKALYVIJGKPJBQV-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as fatty amides. These are carboxylic acid amide derivatives of fatty acids, that are formed from a fatty acid and an amine.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassFatty Acyls
Sub ClassFatty amides
Direct ParentFatty amides
Alternative Parents
Substituents
  • Fatty amide
  • Carboxamide group
  • Primary carboxylic acid amide
  • Carboxylic acid derivative
  • Alkylthiol
  • Thioether
  • Hemithioaminal
  • Sulfenyl compound
  • Dialkylthioether
  • Organopnictogen compound
  • Organosulfur compound
  • Organooxygen compound
  • Organonitrogen compound
  • Primary aliphatic amine
  • Carbonyl group
  • Organic oxygen compound
  • Organic nitrogen compound
  • Hydrocarbon derivative
  • Organic oxide
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
DispositionNot Available
ProcessNot Available
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.062 g/LALOGPS
logP1.57ALOGPS
logP0.52ChemAxon
logS-3.6ALOGPS
pKa (Strongest Acidic)10.07ChemAxon
pKa (Strongest Basic)8.32ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area69.11 ŲChemAxon
Rotatable Bond Count9ChemAxon
Refractivity65.5 m³·mol⁻¹ChemAxon
Polarizability27.34 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+154.27131661259
DarkChem[M-H]-150.8731661259
DeepCCS[M+H]+155.11930932474
DeepCCS[M-H]-151.40830932474
DeepCCS[M-2H]-189.00830932474
DeepCCS[M+Na]+164.39530932474
AllCCS[M+H]+151.332859911
AllCCS[M+H-H2O]+148.132859911
AllCCS[M+NH4]+154.232859911
AllCCS[M+Na]+155.132859911
AllCCS[M-H]-158.232859911
AllCCS[M+Na-2H]-159.732859911
AllCCS[M+HCOO]-161.432859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
S-aminomethyldihydrolipoamideNCSCCC(S)CCCCC(N)=O3212.7Standard polar33892256
S-aminomethyldihydrolipoamideNCSCCC(S)CCCCC(N)=O1937.4Standard non polar33892256
S-aminomethyldihydrolipoamideNCSCCC(S)CCCCC(N)=O2307.9Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
S-aminomethyldihydrolipoamide,1TMS,isomer #1C[Si](C)(C)SC(CCCCC(N)=O)CCSCN2329.7Semi standard non polar33892256
S-aminomethyldihydrolipoamide,1TMS,isomer #1C[Si](C)(C)SC(CCCCC(N)=O)CCSCN2239.9Standard non polar33892256
S-aminomethyldihydrolipoamide,1TMS,isomer #1C[Si](C)(C)SC(CCCCC(N)=O)CCSCN3941.6Standard polar33892256
S-aminomethyldihydrolipoamide,1TMS,isomer #2C[Si](C)(C)NCSCCC(S)CCCCC(N)=O2354.3Semi standard non polar33892256
S-aminomethyldihydrolipoamide,1TMS,isomer #2C[Si](C)(C)NCSCCC(S)CCCCC(N)=O2191.3Standard non polar33892256
S-aminomethyldihydrolipoamide,1TMS,isomer #2C[Si](C)(C)NCSCCC(S)CCCCC(N)=O3346.1Standard polar33892256
S-aminomethyldihydrolipoamide,1TMS,isomer #3C[Si](C)(C)NC(=O)CCCCC(S)CCSCN2340.8Semi standard non polar33892256
S-aminomethyldihydrolipoamide,1TMS,isomer #3C[Si](C)(C)NC(=O)CCCCC(S)CCSCN2184.8Standard non polar33892256
S-aminomethyldihydrolipoamide,1TMS,isomer #3C[Si](C)(C)NC(=O)CCCCC(S)CCSCN3206.1Standard polar33892256
S-aminomethyldihydrolipoamide,2TMS,isomer #1C[Si](C)(C)NC(=O)CCCCC(CCSCN)S[Si](C)(C)C2430.4Semi standard non polar33892256
S-aminomethyldihydrolipoamide,2TMS,isomer #1C[Si](C)(C)NC(=O)CCCCC(CCSCN)S[Si](C)(C)C2432.9Standard non polar33892256
S-aminomethyldihydrolipoamide,2TMS,isomer #1C[Si](C)(C)NC(=O)CCCCC(CCSCN)S[Si](C)(C)C3376.6Standard polar33892256
S-aminomethyldihydrolipoamide,2TMS,isomer #2C[Si](C)(C)NCSCCC(CCCCC(N)=O)S[Si](C)(C)C2479.1Semi standard non polar33892256
S-aminomethyldihydrolipoamide,2TMS,isomer #2C[Si](C)(C)NCSCCC(CCCCC(N)=O)S[Si](C)(C)C2431.8Standard non polar33892256
S-aminomethyldihydrolipoamide,2TMS,isomer #2C[Si](C)(C)NCSCCC(CCCCC(N)=O)S[Si](C)(C)C3493.5Standard polar33892256
S-aminomethyldihydrolipoamide,2TMS,isomer #3C[Si](C)(C)NCSCCC(S)CCCCC(=O)N[Si](C)(C)C2480.7Semi standard non polar33892256
S-aminomethyldihydrolipoamide,2TMS,isomer #3C[Si](C)(C)NCSCCC(S)CCCCC(=O)N[Si](C)(C)C2375.6Standard non polar33892256
S-aminomethyldihydrolipoamide,2TMS,isomer #3C[Si](C)(C)NCSCCC(S)CCCCC(=O)N[Si](C)(C)C2983.2Standard polar33892256
S-aminomethyldihydrolipoamide,2TMS,isomer #4C[Si](C)(C)N(CSCCC(S)CCCCC(N)=O)[Si](C)(C)C2521.6Semi standard non polar33892256
S-aminomethyldihydrolipoamide,2TMS,isomer #4C[Si](C)(C)N(CSCCC(S)CCCCC(N)=O)[Si](C)(C)C2407.1Standard non polar33892256
S-aminomethyldihydrolipoamide,2TMS,isomer #4C[Si](C)(C)N(CSCCC(S)CCCCC(N)=O)[Si](C)(C)C3316.7Standard polar33892256
S-aminomethyldihydrolipoamide,2TMS,isomer #5C[Si](C)(C)N(C(=O)CCCCC(S)CCSCN)[Si](C)(C)C2394.4Semi standard non polar33892256
S-aminomethyldihydrolipoamide,2TMS,isomer #5C[Si](C)(C)N(C(=O)CCCCC(S)CCSCN)[Si](C)(C)C2344.1Standard non polar33892256
S-aminomethyldihydrolipoamide,2TMS,isomer #5C[Si](C)(C)N(C(=O)CCCCC(S)CCSCN)[Si](C)(C)C3168.4Standard polar33892256
S-aminomethyldihydrolipoamide,3TMS,isomer #1C[Si](C)(C)NCSCCC(CCCCC(=O)N[Si](C)(C)C)S[Si](C)(C)C2526.3Semi standard non polar33892256
S-aminomethyldihydrolipoamide,3TMS,isomer #1C[Si](C)(C)NCSCCC(CCCCC(=O)N[Si](C)(C)C)S[Si](C)(C)C2588.5Standard non polar33892256
S-aminomethyldihydrolipoamide,3TMS,isomer #1C[Si](C)(C)NCSCCC(CCCCC(=O)N[Si](C)(C)C)S[Si](C)(C)C2851.3Standard polar33892256
S-aminomethyldihydrolipoamide,3TMS,isomer #2C[Si](C)(C)SC(CCCCC(=O)N([Si](C)(C)C)[Si](C)(C)C)CCSCN2498.6Semi standard non polar33892256
S-aminomethyldihydrolipoamide,3TMS,isomer #2C[Si](C)(C)SC(CCCCC(=O)N([Si](C)(C)C)[Si](C)(C)C)CCSCN2557.0Standard non polar33892256
S-aminomethyldihydrolipoamide,3TMS,isomer #2C[Si](C)(C)SC(CCCCC(=O)N([Si](C)(C)C)[Si](C)(C)C)CCSCN3174.6Standard polar33892256
S-aminomethyldihydrolipoamide,3TMS,isomer #3C[Si](C)(C)SC(CCCCC(N)=O)CCSCN([Si](C)(C)C)[Si](C)(C)C2638.0Semi standard non polar33892256
S-aminomethyldihydrolipoamide,3TMS,isomer #3C[Si](C)(C)SC(CCCCC(N)=O)CCSCN([Si](C)(C)C)[Si](C)(C)C2618.3Standard non polar33892256
S-aminomethyldihydrolipoamide,3TMS,isomer #3C[Si](C)(C)SC(CCCCC(N)=O)CCSCN([Si](C)(C)C)[Si](C)(C)C3319.3Standard polar33892256
S-aminomethyldihydrolipoamide,3TMS,isomer #4C[Si](C)(C)NC(=O)CCCCC(S)CCSCN([Si](C)(C)C)[Si](C)(C)C2586.1Semi standard non polar33892256
S-aminomethyldihydrolipoamide,3TMS,isomer #4C[Si](C)(C)NC(=O)CCCCC(S)CCSCN([Si](C)(C)C)[Si](C)(C)C2541.7Standard non polar33892256
S-aminomethyldihydrolipoamide,3TMS,isomer #4C[Si](C)(C)NC(=O)CCCCC(S)CCSCN([Si](C)(C)C)[Si](C)(C)C2897.0Standard polar33892256
S-aminomethyldihydrolipoamide,3TMS,isomer #5C[Si](C)(C)NCSCCC(S)CCCCC(=O)N([Si](C)(C)C)[Si](C)(C)C2493.4Semi standard non polar33892256
S-aminomethyldihydrolipoamide,3TMS,isomer #5C[Si](C)(C)NCSCCC(S)CCCCC(=O)N([Si](C)(C)C)[Si](C)(C)C2499.8Standard non polar33892256
S-aminomethyldihydrolipoamide,3TMS,isomer #5C[Si](C)(C)NCSCCC(S)CCCCC(=O)N([Si](C)(C)C)[Si](C)(C)C2909.0Standard polar33892256
S-aminomethyldihydrolipoamide,4TMS,isomer #1C[Si](C)(C)NC(=O)CCCCC(CCSCN([Si](C)(C)C)[Si](C)(C)C)S[Si](C)(C)C2626.6Semi standard non polar33892256
S-aminomethyldihydrolipoamide,4TMS,isomer #1C[Si](C)(C)NC(=O)CCCCC(CCSCN([Si](C)(C)C)[Si](C)(C)C)S[Si](C)(C)C2721.2Standard non polar33892256
S-aminomethyldihydrolipoamide,4TMS,isomer #1C[Si](C)(C)NC(=O)CCCCC(CCSCN([Si](C)(C)C)[Si](C)(C)C)S[Si](C)(C)C2689.5Standard polar33892256
S-aminomethyldihydrolipoamide,4TMS,isomer #2C[Si](C)(C)NCSCCC(CCCCC(=O)N([Si](C)(C)C)[Si](C)(C)C)S[Si](C)(C)C2569.4Semi standard non polar33892256
S-aminomethyldihydrolipoamide,4TMS,isomer #2C[Si](C)(C)NCSCCC(CCCCC(=O)N([Si](C)(C)C)[Si](C)(C)C)S[Si](C)(C)C2679.6Standard non polar33892256
S-aminomethyldihydrolipoamide,4TMS,isomer #2C[Si](C)(C)NCSCCC(CCCCC(=O)N([Si](C)(C)C)[Si](C)(C)C)S[Si](C)(C)C2657.5Standard polar33892256
S-aminomethyldihydrolipoamide,4TMS,isomer #3C[Si](C)(C)N(CSCCC(S)CCCCC(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2641.4Semi standard non polar33892256
S-aminomethyldihydrolipoamide,4TMS,isomer #3C[Si](C)(C)N(CSCCC(S)CCCCC(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2653.5Standard non polar33892256
S-aminomethyldihydrolipoamide,4TMS,isomer #3C[Si](C)(C)N(CSCCC(S)CCCCC(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2850.2Standard polar33892256
S-aminomethyldihydrolipoamide,5TMS,isomer #1C[Si](C)(C)SC(CCCCC(=O)N([Si](C)(C)C)[Si](C)(C)C)CCSCN([Si](C)(C)C)[Si](C)(C)C2726.7Semi standard non polar33892256
S-aminomethyldihydrolipoamide,5TMS,isomer #1C[Si](C)(C)SC(CCCCC(=O)N([Si](C)(C)C)[Si](C)(C)C)CCSCN([Si](C)(C)C)[Si](C)(C)C2795.8Standard non polar33892256
S-aminomethyldihydrolipoamide,5TMS,isomer #1C[Si](C)(C)SC(CCCCC(=O)N([Si](C)(C)C)[Si](C)(C)C)CCSCN([Si](C)(C)C)[Si](C)(C)C2532.4Standard polar33892256
S-aminomethyldihydrolipoamide,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)SC(CCCCC(N)=O)CCSCN2568.6Semi standard non polar33892256
S-aminomethyldihydrolipoamide,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)SC(CCCCC(N)=O)CCSCN2470.0Standard non polar33892256
S-aminomethyldihydrolipoamide,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)SC(CCCCC(N)=O)CCSCN3962.8Standard polar33892256
S-aminomethyldihydrolipoamide,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)NCSCCC(S)CCCCC(N)=O2588.6Semi standard non polar33892256
S-aminomethyldihydrolipoamide,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)NCSCCC(S)CCCCC(N)=O2408.7Standard non polar33892256
S-aminomethyldihydrolipoamide,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)NCSCCC(S)CCCCC(N)=O3437.9Standard polar33892256
S-aminomethyldihydrolipoamide,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(=O)CCCCC(S)CCSCN2543.9Semi standard non polar33892256
S-aminomethyldihydrolipoamide,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(=O)CCCCC(S)CCSCN2396.4Standard non polar33892256
S-aminomethyldihydrolipoamide,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(=O)CCCCC(S)CCSCN3274.0Standard polar33892256
S-aminomethyldihydrolipoamide,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(=O)CCCCC(CCSCN)S[Si](C)(C)C(C)(C)C2925.3Semi standard non polar33892256
S-aminomethyldihydrolipoamide,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(=O)CCCCC(CCSCN)S[Si](C)(C)C(C)(C)C2835.9Standard non polar33892256
S-aminomethyldihydrolipoamide,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(=O)CCCCC(CCSCN)S[Si](C)(C)C(C)(C)C3296.0Standard polar33892256
S-aminomethyldihydrolipoamide,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)NCSCCC(CCCCC(N)=O)S[Si](C)(C)C(C)(C)C2973.1Semi standard non polar33892256
S-aminomethyldihydrolipoamide,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)NCSCCC(CCCCC(N)=O)S[Si](C)(C)C(C)(C)C2850.3Standard non polar33892256
S-aminomethyldihydrolipoamide,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)NCSCCC(CCCCC(N)=O)S[Si](C)(C)C(C)(C)C3441.7Standard polar33892256
S-aminomethyldihydrolipoamide,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)NCSCCC(S)CCCCC(=O)N[Si](C)(C)C(C)(C)C2944.7Semi standard non polar33892256
S-aminomethyldihydrolipoamide,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)NCSCCC(S)CCCCC(=O)N[Si](C)(C)C(C)(C)C2775.3Standard non polar33892256
S-aminomethyldihydrolipoamide,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)NCSCCC(S)CCCCC(=O)N[Si](C)(C)C(C)(C)C3111.3Standard polar33892256
S-aminomethyldihydrolipoamide,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)N(CSCCC(S)CCCCC(N)=O)[Si](C)(C)C(C)(C)C2956.2Semi standard non polar33892256
S-aminomethyldihydrolipoamide,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)N(CSCCC(S)CCCCC(N)=O)[Si](C)(C)C(C)(C)C2787.4Standard non polar33892256
S-aminomethyldihydrolipoamide,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)N(CSCCC(S)CCCCC(N)=O)[Si](C)(C)C(C)(C)C3382.8Standard polar33892256
S-aminomethyldihydrolipoamide,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)N(C(=O)CCCCC(S)CCSCN)[Si](C)(C)C(C)(C)C2848.6Semi standard non polar33892256
S-aminomethyldihydrolipoamide,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)N(C(=O)CCCCC(S)CCSCN)[Si](C)(C)C(C)(C)C2726.2Standard non polar33892256
S-aminomethyldihydrolipoamide,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)N(C(=O)CCCCC(S)CCSCN)[Si](C)(C)C(C)(C)C3209.6Standard polar33892256
S-aminomethyldihydrolipoamide,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)NCSCCC(CCCCC(=O)N[Si](C)(C)C(C)(C)C)S[Si](C)(C)C(C)(C)C3276.7Semi standard non polar33892256
S-aminomethyldihydrolipoamide,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)NCSCCC(CCCCC(=O)N[Si](C)(C)C(C)(C)C)S[Si](C)(C)C(C)(C)C3114.7Standard non polar33892256
S-aminomethyldihydrolipoamide,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)NCSCCC(CCCCC(=O)N[Si](C)(C)C(C)(C)C)S[Si](C)(C)C(C)(C)C3015.0Standard polar33892256
S-aminomethyldihydrolipoamide,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)SC(CCCCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CCSCN3205.8Semi standard non polar33892256
S-aminomethyldihydrolipoamide,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)SC(CCCCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CCSCN3098.5Standard non polar33892256
S-aminomethyldihydrolipoamide,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)SC(CCCCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CCSCN3176.0Standard polar33892256
S-aminomethyldihydrolipoamide,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)SC(CCCCC(N)=O)CCSCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3319.2Semi standard non polar33892256
S-aminomethyldihydrolipoamide,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)SC(CCCCC(N)=O)CCSCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3185.6Standard non polar33892256
S-aminomethyldihydrolipoamide,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)SC(CCCCC(N)=O)CCSCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3325.9Standard polar33892256
S-aminomethyldihydrolipoamide,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC(=O)CCCCC(S)CCSCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3263.4Semi standard non polar33892256
S-aminomethyldihydrolipoamide,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC(=O)CCCCC(S)CCSCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3076.2Standard non polar33892256
S-aminomethyldihydrolipoamide,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC(=O)CCCCC(S)CCSCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3116.2Standard polar33892256
S-aminomethyldihydrolipoamide,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)NCSCCC(S)CCCCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3187.5Semi standard non polar33892256
S-aminomethyldihydrolipoamide,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)NCSCCC(S)CCCCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3052.8Standard non polar33892256
S-aminomethyldihydrolipoamide,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)NCSCCC(S)CCCCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3118.3Standard polar33892256
S-aminomethyldihydrolipoamide,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(=O)CCCCC(CCSCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)S[Si](C)(C)C(C)(C)C3584.6Semi standard non polar33892256
S-aminomethyldihydrolipoamide,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(=O)CCCCC(CCSCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)S[Si](C)(C)C(C)(C)C3378.7Standard non polar33892256
S-aminomethyldihydrolipoamide,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(=O)CCCCC(CCSCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)S[Si](C)(C)C(C)(C)C3008.2Standard polar33892256
S-aminomethyldihydrolipoamide,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)NCSCCC(CCCCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)S[Si](C)(C)C(C)(C)C3519.5Semi standard non polar33892256
S-aminomethyldihydrolipoamide,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)NCSCCC(CCCCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)S[Si](C)(C)C(C)(C)C3340.4Standard non polar33892256
S-aminomethyldihydrolipoamide,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)NCSCCC(CCCCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)S[Si](C)(C)C(C)(C)C2985.3Standard polar33892256
S-aminomethyldihydrolipoamide,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)N(CSCCC(S)CCCCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3494.0Semi standard non polar33892256
S-aminomethyldihydrolipoamide,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)N(CSCCC(S)CCCCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3340.6Standard non polar33892256
S-aminomethyldihydrolipoamide,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)N(CSCCC(S)CCCCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3119.6Standard polar33892256
S-aminomethyldihydrolipoamide,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)SC(CCCCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CCSCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3811.5Semi standard non polar33892256
S-aminomethyldihydrolipoamide,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)SC(CCCCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CCSCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3577.5Standard non polar33892256
S-aminomethyldihydrolipoamide,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)SC(CCCCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CCSCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2971.9Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - S-aminomethyldihydrolipoamide GC-MS (Non-derivatized) - 70eV, Positivesplash10-001i-9110000000-92169af0d596e44cc8ca2016-09-22Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - S-aminomethyldihydrolipoamide GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - S-aminomethyldihydrolipoamide 10V, Positive-QTOFsplash10-0abi-0490000000-69eb39f027900d23a9a02016-09-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - S-aminomethyldihydrolipoamide 20V, Positive-QTOFsplash10-05fu-1940000000-07abb67a5c0cae0bf4702016-09-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - S-aminomethyldihydrolipoamide 40V, Positive-QTOFsplash10-08fu-9700000000-bf5b537156d1076e35af2016-09-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - S-aminomethyldihydrolipoamide 10V, Negative-QTOFsplash10-0f79-4390000000-9fbdf2f0d5a84feddd9e2016-09-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - S-aminomethyldihydrolipoamide 20V, Negative-QTOFsplash10-024i-9620000000-ad15652187393ff044be2016-09-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - S-aminomethyldihydrolipoamide 40V, Negative-QTOFsplash10-004i-9000000000-1a97e9e04a757b1a487e2016-09-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - S-aminomethyldihydrolipoamide 10V, Negative-QTOFsplash10-000i-0090000000-fdc72da706fa06c103602021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - S-aminomethyldihydrolipoamide 20V, Negative-QTOFsplash10-0abi-3490000000-888d566e84a5aeb5cc392021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - S-aminomethyldihydrolipoamide 40V, Negative-QTOFsplash10-01ox-9000000000-1a3337d7aa2ca199b5512021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - S-aminomethyldihydrolipoamide 10V, Positive-QTOFsplash10-000i-0090000000-46a7fb3231acde17694c2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - S-aminomethyldihydrolipoamide 20V, Positive-QTOFsplash10-006x-0940000000-0b0447655923fbe022c42021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - S-aminomethyldihydrolipoamide 40V, Positive-QTOFsplash10-0ims-9300000000-a5791f6d2cbccdfd52562021-09-23Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Mitochondria
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB023853
KNApSAcK IDNot Available
Chemspider ID21238679
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG ID1444052
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound24906333
PDB IDNot Available
ChEBI ID50622
Food Biomarker OntologyNot Available
VMH IDALPAM
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available

Enzymes

General function:
Involved in lyase activity
Specific function:
The glycine cleavage system catalyzes the degradation of glycine. The P protein binds the alpha-amino group of glycine through its pyridoxal phosphate cofactor; CO(2) is released and the remaining methylamine moiety is then transferred to the lipoamide cofactor of the H protein.
Gene Name:
GLDC
Uniprot ID:
P23378
Molecular weight:
112728.805