MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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The Swiss Initiative in Systems Biology
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12alpha-Hydroxy-3-oxochola-1,4,6-trien-24-oic Acid
Properties
Image
Occurences in reactions
MNX_ID
MNXM24669
#reac
in my sandbox
0
in MNXref (generic)
0
in models (compartimentalized)
0
formula
C
24
H
32
O
4
charge
0
mass
384.23006
reference
lipidmapsM:LMST04010393
InChIKey
QYQCKFVENAKYDR-QUPGBHKMSA-N
InChI
InChI=1S/C24H32O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h5-6,10-12,14,17-21,26H,4,7-9,13H2,1-3H3,(H,27,28)/t14-,17+,18-,19+,20+,21+,23+,24-/m1/s1
SMILES
C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)C=C[C@]4(C)[C@H]3C[C@H](O)[C@@]21C
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
lipidmaps:LMST04010393
lipidmapsM:LMST04010393
12alpha-Hydroxy-3-oxochola-1,4,6-trien-24-oic Acid
O4
ST 24:5