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CHEBI:181667 - (22E)-3alpha,6beta,7beta-Trihydroxy-5beta-chol-22-en-24-oic Acid

ChEBI IDCHEBI:181667
ChEBI Name(22E)-3alpha,6beta,7beta-Trihydroxy-5beta-chol-22-en-24-oic Acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H38O5
Net Charge0
Average Mass406.563
Monoisotopic Mass406.27192
SMILES[H][C@@]12CC[C@]([H])([C@H](C)/C=C/C(=O)O)[C@@]1(C)CC[C@]1([H])[C@@]3(C)CC[C@@H](O)C[C@@]3([H])[C@H](O)[C@H](O)[C@@]21[H]
InChIInChI=1S/C24H38O5/c1-13(4-7-19(26)27)15-5-6-16-20-17(9-11-23(15,16)2)24(3)10-8-14(25)12-18(24)21(28)22(20)29/h4,7,13-18,20-22,25,28-29H,5-6,8-12H2,1-3H3,(H,26,27)/b7-4+/t13-,14-,15-,16+,17+,18+,20+,21+,22-,23-,24-/m1/s1
InChIKeyOVBZFPUPFCLMFP-JVKJFCMBSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090)
small intestine (BTO:0000651) MetaboLights (MTBLS3486) Strain: C57BL/6 Mouse [THESAURUS.OWL#C14424]
serum (BTO:0001239) MetaboLights (MTBLS3725)
Nippostrongylus brasiliensis (ncbitaxon:27835) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3486)
ChEBI Ontology
Outgoing Relation(s)
(22E)-3alpha,6beta,7beta-Trihydroxy-5beta-chol-22-en-24-oic Acid (CHEBI:181667) is a 7α-hydroxy steroid (CHEBI:36843)
IUPAC Name 
(E,4R)-4-[(3R,5R,6S,7R,8S,9S,10R,13R,14S,17R)-3,6,7-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pent-2-enoic acid
Manual XrefsDatabases
4447076ChemSpider
LMST04010231LIPID MAPS