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isolithocholate

PropertiesImage
MNX_IDMNXM162429 Image of MNXM162429
referencechebi:87728
formulaC24H39O3
global charge-1
mol weight375.573
InChIKeySMEROWZSTRWXGI-WFVDQZAMSA-M
InChIInChI=1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/p-1/t15-,16-,17+,18+,19-,20+,21+,23+,24-/m1/s1
SMILESC[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MNX internals
InChI (mnx)InChI=1/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16-,17+,18+,19-,20+,21+,23+,24-/m1/s1 Image of MNXM162429
SMILES (mnx)[CH3:1][C@H:15]([CH2:4][CH2:9][C:22](=[O:26])[OH:27])[C@H:19]1[CH2:7][CH2:8][C@H:20]2[C@@H:18]3[CH2:6][CH2:5][C@@H:16]4[CH2:14][C@@H:17]([OH:25])[CH2:10][CH2:12][C@:23]4([CH3:2])[C@H:21]3[CH2:11][CH2:13][C@:24]12[CH3:3]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:87728
chebi:87728
SMEROWZSTRWXGI-WFVDQZAMSA-M
isolithocholate
(3beta,5beta)-3-hydroxycholan-24-oate
3beta-hydroxy-5beta-cholan-24-oate
3beta-lithocholate

sabiork.compound:24990
sabiorkM:24990
3beta-Hydroxy-5beta-cholanate

seed.compound:cpd17773
seedM:cpd17773
SMEROWZSTRWXGI-WFVDQZAMSA-M
Isolithocholate
3-Epilithocholic acid
3-beta-hydroxy-5-beta-cholan-24-oate
3-beta-hydroxy-5-beta-cholanate
3-beta-hydroxycholanic acid
3beta-Hydroxy-5beta-cholan-24-oic acid
Isolithocholic acid
beta-Lithocholanic acid
beta-Lithocholic acid
isolithocholate
isolithocolic acid

kegg.compound:C17658
keggC:C17658
SMEROWZSTRWXGI-WFVDQZAMSA-N
Isolithocholate
3-Epilithocholic acid
3beta-Hydroxy-5beta-cholan-24-oic acid
Isolithocholic acid
beta-Lithocholanic acid
beta-Lithocholic acid
hmdb:HMDB0000717
SMEROWZSTRWXGI-WFVDQZAMSA-N
Isolithocholic acid
(3b,5b)-3-Hydroxycholan-24-Oate
(3b,5b)-3-Hydroxycholan-24-Oic acid
(3beta,5beta)-3-Hydroxycholan-24-Oate
(3beta,5beta)-3-Hydroxycholan-24-Oic acid
(3beta,5beta)-3-hydroxycholan-24-Oate
(3beta,5beta)-3-hydroxycholan-24-Oic acid
(4R)-4-[(1S,2S,5S,7R,10R,11S,14R,15R)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanoic acid
3-Epilithocholate
3-Epilithocholic acid
3b-Hydroxy-5b-cholan-24-Oate
3b-Hydroxy-5b-cholan-24-Oic acid
3b-Hydroxy-5b-cholanate
3b-Hydroxy-5b-cholanic acid
3b-Hydroxy-5b-cholanoate
3b-Hydroxy-5b-cholanoic acid
3b-Lithocholate
3b-Lithocholic acid
3beta-Hydroxy-5beta-cholan-24-Oate
3beta-Hydroxy-5beta-cholan-24-Oic acid
3beta-Lithocholate
3beta-Lithocholic acid
3beta-hydroxy-5beta-cholan-24-Oate
3beta-hydroxy-5beta-cholan-24-Oic acid
3beta-lithocholate
3beta-lithocholic acid
5b-Cholanic acid-3b-ol
Acid, isolithocholic
Acid, lithocholic
Isolithocholate
Lithocholate
Lithocholic acid
b-Lithocholanate
b-Lithocholanic acid
b-Lithocholate
b-Lithocholic acid
beta-Lithocholanate
beta-Lithocholanic acid
beta-Lithocholate
beta-Lithocholic acid
beta-lithocholanate
beta-lithocholanic acid
beta-lithocholate
beta-lithocholic acid

lipidmaps:LMST04010004
lipidmapsM:LMST04010004
SMEROWZSTRWXGI-WFVDQZAMSA-N
Isolithocholic acid
3beta-Hydroxy-5beta-cholan-24-oic Acid
Isolithocholate
O3
ST 24:1
iso-LCA

SLM:000501082
slm:000501082
SMEROWZSTRWXGI-WFVDQZAMSA-M
isolithocholate

metacyc.compound:CPD-18797
metacycM:CPD-18797
SMEROWZSTRWXGI-WFVDQZAMSA-M
isolithocholate
3-beta-hydroxy-5-beta-cholan-24-oate
3-beta-hydroxy-5-beta-cholanate
3-beta-hydroxycholanic acid
isolithocolic acid

CHEBI:81253
chebi:81253
SMEROWZSTRWXGI-WFVDQZAMSA-N
isolithocholic acid
(3beta,5beta)-3-Hydroxycholan-24-oic acid
(3beta,5beta)-3-hydroxycholan-24-oic acid
3-Epilithocholic acid
3beta-Hydroxy-5beta-cholan-24-oic acid
3beta-hydroxy-5beta-cholan-24-oic acid
3beta-lithocholic acid
beta-Lithocholanic acid
beta-Lithocholic acid

hmdb:HMDB00717
chebi:88092
keggC:M_C17658
seedM:M_cpd17773
secondary/obsolete/fantasy identifier