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4alpha-carboxy-5alpha-cholest-8-ene-3beta-ol

MNXM10248 is deprecated and here replaced by MNXM726071
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM726071 Image of MNXM726071
referencechebi:87055
formulaC28H45O3
global charge-1
mol weight429.665
InChIKeyRODBXVVNKJCWQR-GSQAGGHASA-M
InChIInChI=1S/C28H46O3/c1-17(2)7-6-8-18(3)20-11-12-21-19-9-10-23-25(26(30)31)24(29)14-16-28(23,5)22(19)13-15-27(20,21)4/h17-18,20-21,23-25,29H,6-16H2,1-5H3,(H,30,31)/p-1/t18-,20-,21+,23+,24+,25+,27-,28-/m1/s1
SMILESCC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@H](C(=O)[O-])[C@@H]1CC3
MNX internals
InChI (mnx)InChI=1/C28H46O3/c1-17(2)7-6-8-18(3)20-11-12-21-19-9-10-23-25(26(30)31)24(29)14-16-28(23,5)22(19)13-15-27(20,21)4/h17-18,20-21,23-25,29H,6-16H2,1-5H3,(H,30,31)/t18-,20-,21+,23+,24+,25+,27-,28-/m1/s1 Image of MNXM726071
SMILES (mnx)[CH3:1][CH:17]([CH3:2])[CH2:7][CH2:6][CH2:8][C@@H:18]([CH3:3])[C@H:20]1[CH2:11][CH2:12][C@H:21]2[C:19]3=[C:22]([CH2:13][CH2:15][C@:27]12[CH3:4])[C@@:28]1([CH3:5])[CH2:16][CH2:14][C@H:24]([OH:29])[C@@H:25]([C:26](=[O:30])[OH:31])[C@@H:23]1[CH2:10][CH2:9]3
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)15
in models (compartimentalized) 3
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:87055
chebi:87055
RODBXVVNKJCWQR-GSQAGGHASA-M 		4alpha-carboxy-5alpha-cholest-8-ene-3beta-ol
(3beta,4alpha,5alpha)-3-hydroxycholest-8-ene-4-carboxylate
3beta-hydroxy-5alpha-cholest-8-ene-4alpha-carboxylate
4alpha-carboxy-5alpha-cholest-8-en-3beta-ol(1-)

CHEBI:87293
chebi:87293
RODBXVVNKJCWQR-GSQAGGHASA-N 		3beta-hydroxy-5alpha-cholest-8-ene-4alpha-carboxylic acid
(3beta,4alpha,5alpha)-3-hydroxycholest-8-ene-4-carboxylic acid
4alpha-carboxy-5alpha-cholest-8-en-3beta-ol

SLM:000485691
slm:000485691
RODBXVVNKJCWQR-GSQAGGHASA-M 		4alpha-carboxy-5alpha-cholest-8-ene-3beta-ol

metacyc.compound:CPD-8619
metacycM:CPD-8619
seed.compound:cpd25365
seedM:cpd25365
RODBXVVNKJCWQR-GSQAGGHASA-M 		4alpha-carboxy-5alpha-cholesta-8-en-3beta-ol
hmdb:HMDB0062386
RODBXVVNKJCWQR-GSQAGGHASA-N 		4alpha-carboxy-5alpha-cholesta-8-en-3beta-ol
(2S,5S,6S,7S,11R,14R,15R)-5-hydroxy-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-ene-6-carboxylic acid
3b-Hydroxy-5a-cholest-8-ene-4a-carboxylate
3b-Hydroxy-5a-cholest-8-ene-4a-carboxylic acid
3beta-Hydroxy-5alpha-cholest-8-ene-4alpha-carboxylate
3beta-hydroxy-5alpha-cholest-8-ene-4alpha-carboxylate
3beta-hydroxy-5alpha-cholest-8-ene-4alpha-carboxylic acid
4a-Carboxy-5a-cholest-8-en-3b-ol
4alpha-Carboxy-5alpha-cholest-8-en-3beta-ol
4alpha-carboxy-5alpha-cholest-8-en-3beta-ol

lipidmaps:LMST01010228
lipidmapsM:LMST01010228
RODBXVVNKJCWQR-GSQAGGHASA-N 		4alpha-carboxy-5alpha-cholesta-8-en-3beta-ol
O3
ST 28:2

hmdb:HMDB62386
seedM:M_cpd25365 		secondary/obsolete/fantasy identifier