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7alpha,25-dihydroxy-4-cholesten-3-one

PropertiesImage
MNX_IDMNXM10438 Image of MNXM10438
referencechebi:81013
formulaC27H44O3
global charge0
mol weight416.646
InChIKeyPOUKDTOWHPHYQU-HENOKILYSA-N
InChIInChI=1S/C27H44O3/c1-17(7-6-12-25(2,3)30)20-8-9-21-24-22(11-14-27(20,21)5)26(4)13-10-19(28)15-18(26)16-23(24)29/h15,17,20-24,29-30H,6-14,16H2,1-5H3/t17-,20-,21+,22+,23-,24+,26+,27-/m1/s1
SMILESC[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MNX internals
InChI (mnx)InChI=1/C27H44O3/c1-17(7-6-12-25(2,3)30)20-8-9-21-24-22(11-14-27(20,21)5)26(4)13-10-19(28)15-18(26)16-23(24)29/h15,17,20-24,29-30H,6-14,16H2,1-5H3/t17-,20-,21+,22+,23-,24+,26+,27-/m1/s1 Image of MNXM10438
SMILES (mnx)[CH3:1][C@H:17]([CH2:7][CH2:6][CH2:12][C:25]([CH3:2])([CH3:3])[OH:30])[C@H:20]1[CH2:8][CH2:9][C@H:21]2[C@H:24]3[C@H:22]([CH2:11][CH2:14][C@:27]12[CH3:5])[C@@:26]1([CH3:4])[CH2:13][CH2:10][C:19](=[O:28])[CH:15]=[C:18]1[CH2:16][C@H:23]3[OH:29]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:81013
chebi:81013
POUKDTOWHPHYQU-HENOKILYSA-N 		7alpha,25-dihydroxy-4-cholesten-3-one
(7alpha)-7,25-dihydroxycholest-4-en-3-one
7alpha,25-Dihydroxy-4-cholesten-3-one
7alpha,25-dihydroxycholest-4-en-3-one
7alpha,25-dihydroxycholestenone

vmhM:M01179
vmhmetabolite:M01179
POUKDTOWHPHYQU-UHFFFAOYSA-N 		7Alpha,25-Dihydroxycholest-4-En-3-One

seed.compound:cpd17475
seedM:cpd17475
kegg.compound:C17332
keggC:C17332
POUKDTOWHPHYQU-HENOKILYSA-N 		7alpha,25-Dihydroxy-4-cholesten-3-one
hmdb:HMDB0060425
POUKDTOWHPHYQU-HENOKILYSA-N 		7alpha,25-Dihydroxy-4-cholesten-3-one
(1S,2R,9R,10S,11S,14R,15R)-9-hydroxy-14-[(2R)-6-hydroxy-6-methylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-en-5-one
(7a)-7,25-Dihydroxycholest-4-en-3-one
(7alpha)-7,25-Dihydroxycholest-4-en-3-one
(7alpha)-7,25-dihydroxycholest-4-en-3-one
7,25-DiOH-4-cholesten-3-one
7,25-Dihydroxy-4-cholesten-3-one
7a,25-Dihydroxy-4-cholesten-3-one
7a,25-Dihydroxycholestenone
7alpha,25-Dihydroxycholestenone
7alpha,25-dihydroxy-4-cholesten-3-one
7alpha,25-dihydroxycholestenone

SLM:000501050
slm:000501050
POUKDTOWHPHYQU-HENOKILYSA-N 		7alpha,25-dihydroxy-4-cholesten-3-one

lipidmaps:LMST04030107
lipidmapsM:LMST04030107
POUKDTOWHPHYQU-HENOKILYSA-N 		7alpha,25-dihydroxycholestenone
7alpha,25-Dihydroxycholest-4-en-3-one
O3
ST 27:2

hmdb:HMDB60425
keggC:M_C17332
seedM:M_cpd17475
vmhM:M_M01179 		secondary/obsolete/fantasy identifier