CHEBI:197006 - 7,12-Dioxochol-5-en-24-oic Acid

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ChEBI Name 7,12-Dioxochol-5-en-24-oic Acid
ChEBI ID CHEBI:197006
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H34O4
Net Charge 0
Average Mass 386.532
Monoisotopic Mass 386.24571
InChI InChI=1S/C24H34O4/c1-14(7-10-21(27)28)16-8-9-17-22-18(13-20(26)24(16,17)3)23(2)11-5-4-6-15(23)12-19(22)25/h12,14,16-18,22H,4-11,13H2,1-3H3,(H,27,28)/t14-,16-,17+,18+,22+,23+,24-/m1/s1
InChIKey DDOYZZDPPXKMQA-KZMXVWCJSA-N
SMILES O=C1[C@]2([C@]([C@]3([C@@]([C@@]4(C(=CC3=O)CCCC4)C)(C1)[H])[H])(CC[C@@]2([C@@H](CCC(O)=O)C)[H])[H])C
Metabolite of Species Details
Cannabis sativa (NCBI:txid3483) Found in inflorescence (BTO:0000628). of strain Cannabis sativa var. DMG265 See: MetaboLights Study
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 7,12-Dioxochol-5-en-24-oic Acid (CHEBI:197006) is a bile acid (CHEBI:3098)
IUPAC Name
(4R)-4-[(8R,9S,10R,13R,14S,17R)-10,13-dimethyl-7,12-dioxo-2,3,4,8,9,11,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
Manual Xrefs Databases
4447194 ChemSpider
LMST04010361 LIPID MAPS
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