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allocholate

MNXM450 is deprecated and here replaced by MNXM735591
!!! Alternative mappings exist !!!
PropertiesImageOccurences in reactions
MNX_IDMNXM735591Image of MNXM735591
#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
formulaC24H39O5
charge-1
mass407.2803
referencechebi:137661
InChIKeyBHQCQFFYRZLCQQ-PGHAKIONSA-M
InChIInChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/p-1/t13-,14-,15-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1
SMILESC[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@@H]1C[C@H]3O
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
CHEBI:137661
chebi:137661
allocholate
(3alpha,5alpha,7alpha,12alpha)-3,7,12-trihydroxycholan-24-oate
3alpha,7alpha,12alpha-trihydroxy-5alpha-cholan-24-oate
5alpha-cholate
seed.compound:cpd17836
seedM:cpd17836
Allocholate
3alpha,7alpha,12alpha-Trihydroxy-5alpha-cholanoic acid
3alpha,7alpha,12alpha-trihydroxy-5alpha-cholan-24-oic acid
5alpha-cholic acid
Allocholic acid
allocholate
allocholic acid
lipidmaps:LMST04010092
lipidmapsM:LMST04010092
Allocholic acid
3alpha,7alpha,12alpha-Trihydroxy-5alpha-cholan-24-oic Acid
O5
ST 24:1
kegg.compound:C17737
keggC:C17737
Allocholic acid
3alpha,7alpha,12alpha-Trihydroxy-5alpha-cholanoic acid
Allocholate
metacyc.compound:CPD-16581
metacycM:CPD-16581
allocholate
3alpha,7alpha,12alpha-trihydroxy-5alpha-cholan-24-oic acid
5alpha-cholic acid
allocholic acid
CHEBI:81308
chebi:81308
allocholic acid
(3alpha,5alpha,7alpha,12alpha)-3,7,12-trihydroxycholan-24-oic acid
3alpha,7alpha,12alpha-Trihydroxy-5alpha-cholanoic acid
3alpha,7alpha,12alpha-trihydroxy-5alpha-cholan-24-oic acid
5alpha-cholic acid
keggC:M_C17737
seedM:M_cpd17836
secondary/obsolete/fantasy identifier