MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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7alpha,12alpha-Dihydroxy-3-oxo-5alpha-cholestan-26-oic acid
Properties
Image
Occurences in reactions
MNX_ID
MNXM24952
#reac
in my sandbox
0
in MNXref (generic)
0
in models (compartimentalized)
0
formula
C
27
H
44
O
5
charge
0
mass
448.31887
reference
lipidmapsM:LMST04030051
InChIKey
IPDDUDDXZPWYCG-YJHHRXQTSA-N
InChI
InChI=1S/C27H44O5/c1-15(6-5-7-16(2)25(31)32)19-8-9-20-24-21(14-23(30)27(19,20)4)26(3)11-10-18(28)12-17(26)13-22(24)29/h15-17,19-24,29-30H,5-14H2,1-4H3,(H,31,32)/t15-,16?,17-,19-,20+,21+,22-,23+,24+,26+,27-/m1/s1
SMILES
CC(CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CCC(=O)C[C@@H]1C[C@H]3O)C(=O)O
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
lipidmaps:LMST04030051
lipidmapsM:LMST04030051
7alpha,12alpha-Dihydroxy-3-oxo-5alpha-cholestan-26-oic acid
O5
ST 27:2