Search MNXref
 Feedback

(3beta)-hydroxy-cholest-5-en-26-oate

PropertiesImage
MNX_IDMNXM725963 Image of MNXM725963
referencechebi:84146
formulaC27H43O3
global charge-1
mol weight415.638
InChIKeyWVXOMPRLWLXFAP-AMQKJUDNSA-M
InChIInChI=1S/C27H44O3/c1-17(6-5-7-18(2)25(29)30)22-10-11-23-21-9-8-19-16-20(28)12-14-26(19,3)24(21)13-15-27(22,23)4/h8,17-18,20-24,28H,5-7,9-16H2,1-4H3,(H,29,30)/p-1/t17-,18?,20+,21+,22-,23+,24+,26+,27-/m1/s1
SMILESCC(CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C27H44O3/c1-17(6-5-7-18(2)25(29)30)22-10-11-23-21-9-8-19-16-20(28)12-14-26(19,3)24(21)13-15-27(22,23)4/h8,17-18,20-24,28H,5-7,9-16H2,1-4H3,(H,29,30)/t17-,18?,20+,21+,22-,23+,24+,26+,27-/m1/s1 Image of MNXM725963
SMILES (mnx)[CH3:1][C@H:17]([CH2:6][CH2:5][CH2:7][CH:18]([CH3:2])[C:25](=[O:29])[OH:30])[C@H:22]1[CH2:10][CH2:11][C@H:23]2[C@@H:21]3[CH2:9][CH:8]=[C:19]4[CH2:16][C@@H:20]([OH:28])[CH2:12][CH2:14][C@:26]4([CH3:3])[C@H:24]3[CH2:13][CH2:15][C@:27]12[CH3:4]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 5
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:84146
chebi:84146
WVXOMPRLWLXFAP-AMQKJUDNSA-M 		(3beta)-hydroxy-cholest-5-en-26-oate
(3beta)-hydroxycholest-5-en-26-oate
3beta-hydroxycholest-5-en-26-oate

SLM:000399830
slm:000399830
WVXOMPRLWLXFAP-AMQKJUDNSA-M 		(3beta)-hydroxy-cholest-5-en-26-oate

kegg.compound:C17333
keggC:C17333
WVXOMPRLWLXFAP-AMQKJUDNSA-N 		3beta-Hydroxy-5-cholestenoate
3beta-Hydroxycholest-5-en-27-oic acid

seed.compound:cpd17476
seedM:cpd17476
WVXOMPRLWLXFAP-AMQKJUDNSA-M 		3beta-Hydroxy-5-cholestenoate
3beta-Hydroxycholest-5-en-27-oic acid
cholest-5-en-3beta-ol-26-oate

bigg.metabolite:CE1292
biggM:CE1292
WVXOMPRLWLXFAP-JKJRJEEJSA-M 		3beta-hydroxy-5-cholestene-27-oate

CHEBI:81014
chebi:81014
WVXOMPRLWLXFAP-AMQKJUDNSA-N 		3beta-hydroxycholest-5-en-26-oic acid
(3beta)-hydroxycholest-5-en-26-oic acid
3-HCOA
3-Hydroxy-5-cholesten-26-oic acid
3-Hydroxy-5-cholestenoic acid
3beta-Hydroxy-5-cholestenoic acid

biggM:M_CE1292
keggC:M_C17333
seedM:M_cpd17476 		secondary/obsolete/fantasy identifier