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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2021-09-11 06:27:21 UTC
Update Date2021-09-26 23:00:43 UTC
HMDB IDHMDB0249683
Secondary Accession NumbersNone
Metabolite Identification
Common NameCarminomycin II
DescriptionCarminomycin II, also known as rubeomycin a or carminomicin, belongs to the class of organic compounds known as anthracenecarboxylic acids. These are organic compounds containing a carboxylic acid group attached to an anthracene ring system. Based on a literature review very few articles have been published on Carminomycin II. This compound has been identified in human blood as reported by (PMID: 31557052 ). Carminomycin ii is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Carminomycin II is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources.
Structure
Thumb
Synonyms
ValueSource
CarminomicinMeSH
CarminomycinMeSH
Carminomycin IMeSH
Carminomycin IIIMeSH
CarubicinMeSH
Carubicin hydrochlorideMeSH
DemethyldaunomycinMeSH
DemethyldaunorubicinMeSH
Hydrochloride, carubicinMeSH
KarminomicinMeSH
KarminomycinMeSH
Rubeomycin aMeSH
Rubeomycin a1MeSH
Chemical FormulaC33H41NO13
Average Molecular Weight659.685
Monoisotopic Molecular Weight659.257790384
IUPAC Name8-acetyl-10-[(4-amino-5-{3-hydroxy-1-[(1-hydroxypropan-2-yl)oxy]butoxy}-6-methyloxan-2-yl)oxy]-1,6,8,11-tetrahydroxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione
Traditional Name8-acetyl-10-[(4-amino-5-{3-hydroxy-1-[(1-hydroxypropan-2-yl)oxy]butoxy}-6-methyloxan-2-yl)oxy]-1,6,8,11-tetrahydroxy-9,10-dihydro-7H-tetracene-5,12-dione
CAS Registry NumberNot Available
SMILES
CC(O)CC(OC(C)CO)OC1C(N)CC(OC2CC(O)(CC3=C(O)C4=C(C(O)=C23)C(=O)C2=C(O)C=CC=C2C4=O)C(C)=O)OC1C
InChI Identifier
InChI=1S/C33H41NO13/c1-13(36)8-22(44-14(2)12-35)47-32-15(3)45-23(9-19(32)34)46-21-11-33(43,16(4)37)10-18-25(21)31(42)27-26(29(18)40)28(39)17-6-5-7-20(38)24(17)30(27)41/h5-7,13-15,19,21-23,32,35-36,38,40,42-43H,8-12,34H2,1-4H3
InChI KeyDNHXZQIEIKSDIK-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as anthracenecarboxylic acids. These are organic compounds containing a carboxylic acid group attached to an anthracene ring system.
KingdomOrganic compounds
Super ClassBenzenoids
ClassAnthracenes
Sub ClassAnthracenecarboxylic acids and derivatives
Direct ParentAnthracenecarboxylic acids
Alternative Parents
Substituents
  • Anthracene carboxylic acid
  • 9,10-anthraquinone
  • Anthraquinone
  • Hydroxyanthraquinone
  • Phenolic glycoside
  • 2-naphthalenecarboxylic acid
  • 2-naphthalenecarboxylic acid or derivatives
  • Hexose monosaccharide
  • C-glycosyl compound
  • Glycosyl compound
  • Hydroxybenzoic acid
  • Salicylic acid or derivatives
  • Aryl ketone
  • 1-hydroxy-2-unsubstituted benzenoid
  • Oxane
  • Monosaccharide
  • Vinylogous acid
  • Secondary alcohol
  • Ketone
  • Polyol
  • Carboxylic acid derivative
  • Carboxylic acid
  • Dialkyl ether
  • Ether
  • Oxacycle
  • Organoheterocyclic compound
  • Monocarboxylic acid or derivatives
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Primary alcohol
  • Alcohol
  • Organic oxygen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
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
Predicted Chromatographic Properties
Spectra
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID138156
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound156955
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Barupal DK, Fiehn O: Generating the Blood Exposome Database Using a Comprehensive Text Mining and Database Fusion Approach. Environ Health Perspect. 2019 Sep;127(9):97008. doi: 10.1289/EHP4713. Epub 2019 Sep 26. [PubMed:31557052 ]