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

ChEBI IDCHEBI:197006
ChEBI Name7,12-Dioxochol-5-en-24-oic Acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H34O4
Net Charge0
Average Mass386.532
Monoisotopic Mass386.24571
SMILES[H][C@@]12CC[C@]([H])([C@H](C)CCC(=O)O)[C@@]1(C)C(=O)C[C@@]1([H])[C@@]2([H])C(=O)C=C2CCCC[C@@]21C
InChIInChI=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
InChIKeyDDOYZZDPPXKMQA-KZMXVWCJSA-N
Species of MetaboliteComponentSourceComments
Cannabis sativa (ncbitaxon:3483) inflorescence (BTO:0000628) MetaboLights (MTBLS6032) Strain: Cannabis sativa var. DMG265
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
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
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