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7alpha,12alpha-dihydroxy-3-oxochol-4-en-24-oate

PropertiesImageOccurences in reactions
MNX_IDMNXM735237Image of MNXM735237
#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
formulaC24H35O5
charge-1
mass403.249
referencechebi:58803
InChIKeyZZUMXQCSMJCDDC-DFQOQHGMSA-M
InChIInChI=1S/C24H36O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h10,13,16-20,22,26-27H,4-9,11-12H2,1-3H3,(H,28,29)/p-1/t13-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1
SMILESC[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CCC(=O)C=C1C[C@H]3O
Parent-child relations graph
 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
CHEBI:58803
chebi:58803 		7alpha,12alpha-dihydroxy-3-oxochol-4-en-24-oate
(7alpha,12alpha)-7,12-dihydroxy-3-oxochol-4-en-24-oate
hmdb:HMDB0000447 7a,12a-Dihydroxy-3-oxo-4-cholenoic acid
(4R)-4-[(1S,2R,9R,10R,11S,14R,15R,16S)-9,16-Dihydroxy-2,15-dimethyl-5-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-en-14-yl]pentanoate
(4R)-4-[(1S,2R,9R,10R,11S,14R,15R,16S)-9,16-dihydroxy-2,15-dimethyl-5-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-en-14-yl]pentanoic acid
7a,12a-Dihydroxy-3-oxo-4-cholenoate
7a,12a-Dihydroxy-3-oxo-chol-4-en-24-Oate
7a,12a-Dihydroxy-3-oxo-chol-4-en-24-Oic acid
7a,12a-Dihydroxy-3-oxochol-4-enoate
7a,12a-Dihydroxy-3-oxochol-4-enoic acid
7alpha,12alpha-Dihydroxy-3-oxochol-4-enoate
7alpha,12alpha-Dihydroxy-3-oxochol-4-enoic acid
7alpha,12alpha-dihydroxy-3-oxochol-4-enoate
7alpha,12alpha-dihydroxy-3-oxochol-4-enoic acid
lipidmaps:LMST04010241
lipidmapsM:LMST04010241 		7alpha,12alpha-Dihydroxy-3-oxochol-4-en-24-oic Acid
O5
ST 24:3
sabiork.compound:23261
sabiorkM:23261
kegg.compound:C15568
keggC:C15568 		7alpha,12alpha-Dihydroxy-3-oxochol-4-enoate
seed.compound:cpd11234
seedM:cpd11234 		7alpha,12alpha-Dihydroxy-3-oxochol-4-enoate
7-alpha,12-alpha-dihydroxy-3-oxochol-4-enoate
SLM:000485653
slm:000485653 		7alpha,12alpha-dihydroxy-3-oxochol-4-en-24-oate
CHEBI:49269
chebi:49269 		7alpha,12alpha-dihydroxy-3-oxochol-4-en-24-oic acid
7alpha,12alpha-Dihydroxy-3-oxochol-4-enoate
7alpha,12alpha-dihydroxy-3-oxochol-4-enoic acid
metacyc.compound:CPD-7273
metacycM:CPD-7273 		7alpha,12alpha-dihydroxy-3-oxochol-4-enoate
3-dehydro-Delta4-cholate
hmdb:HMDB00447
keggC:M_C15568
seedM:M_cpd11234 		secondary/obsolete/fantasy identifier