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(25R)-3beta-hydroxy-5-cholestenoate

PropertiesImage
MNX_IDMNXM46558 Image of MNXM46558
referencechebi:86098
formulaC27H43O3
global charge-1
mol weight415.638
InChIKeyWVXOMPRLWLXFAP-KQOPCUSDSA-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
SMILESC[C@H](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 MNXM46558
SMILES (mnx)[CH3:1][C@H:17]([CH2:6][CH2:5][CH2:7][C@@H: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)5
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:86098
chebi:86098
WVXOMPRLWLXFAP-KQOPCUSDSA-M 		(25R)-3beta-hydroxy-5-cholestenoate
(25R)-3beta-hydroxycholest-5-en-26-oate
(3beta,25R)-3-hydroxycholest-5-en-26-oate

seed.compound:cpd35440
seedM:cpd35440
WVXOMPRLWLXFAP-KQOPCUSDSA-M 		(25R)-26-carboxycholesterol
(25R)-3beta-hydroxycholest-5-en-26-oate

SLM:000501284
slm:000501284
WVXOMPRLWLXFAP-KQOPCUSDSA-M 		(25R)-3beta-hydroxy-5-cholestenoate

metacyc.compound:CPD-19074
metacycM:CPD-19074
WVXOMPRLWLXFAP-KQOPCUSDSA-M 		(25R)-3beta-hydroxycholest-5-en-26-oate
(25R)-26-carboxycholesterol

CHEBI:86378
chebi:86378
WVXOMPRLWLXFAP-KQOPCUSDSA-N 		(25R)-3beta-hydroxycholest-5-en-26-oic acid
hmdb:HMDB0012453
WVXOMPRLWLXFAP-KQOPCUSDSA-N 		3beta-Hydroxy-5-cholestenoic acid
(25R)-3b-Hydroxycholest-5-en-26-Oate
(25R)-3b-Hydroxycholest-5-en-26-Oic acid
(25R)-3beta-Hydroxycholest-5-en-26-Oate
(25R)-3beta-hydroxycholest-5-en-26-Oate
(25R)-3beta-hydroxycholest-5-en-26-Oic acid
(2R,6R)-6-[(1S,2R,5S,10S,11S,14R,15R)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-14-yl]-2-methylheptanoic acid
(3beta)-3-Hydroxycholest-5-en-26-oic acid
(3beta,25R)-3-Hydroxycholest-5-en-26-oic acid
3b-Hydroxy-5-cholestenoate
3b-Hydroxy-5-cholestenoic acid
3beta-Hydroxy-5-cholestenoate
3beta-Hydroxycholest-5-en-26-oic acid
3beta-Hydroxycholest-5-en-27-oic acid
3beta-hydroxy-5-cholestenoate
3beta-hydroxy-5-cholestenoic acid
5-Cholesten-3-ol-25-carboxylic acid

lipidmaps:LMST04030072
lipidmapsM:LMST04030072
WVXOMPRLWLXFAP-KQOPCUSDSA-N 		Cholestenoic acid
3beta-Hydroxycholest-5-en-25R-26-oic acid
3beta-hydroxy-5-cholestenoic acid
O3
ST 27:2
hydroxycholestenoic acid

hmdb:HMDB12453
seedM:M_cpd35440 		secondary/obsolete/fantasy identifier