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Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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1-(13-methyltetradecanoyl)-2-(6Z-octadecenoyl)-sn-glycero-3-phospho-1D-myo-inositol-3,5-bisphosphate
Properties
Image
Occurences in reactions
MNX_ID
MNXM213787
#reac
in my sandbox
0
in MNXref (generic)
0
in models (compartimentalized)
0
formula
C
42
H
76
O
19
P
3
charge
-5
mass
977.42211
reference
slm:000446362
InChIKey
DHAMWCOAJJPENG-BWYOLCHWSA-I
InChI
InChI=1S/C42H81O19P3/c1-4-5-6-7-8-9-10-11-12-13-14-17-21-24-27-30-36(44)58-34(31-56-35(43)29-26-23-20-18-15-16-19-22-25-28-33(2)3)32-57-64(54,55)61-42-38(46)40(59-62(48,49)50)37(45)41(39(42)47)60-63(51,52)53/h14,17,33-34,37-42,45-47H,4-13,15-16,18-32H2,1-3H3,(H,54,55)(H2,48,49,50)(H2,51,52,53)/p-5/b17-14-/t34-,37-,38-,39-,40-,41+,42-/m1/s1
SMILES
CCCCCCCCCCC/C=C\CCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCC(C)C)COP(=O)([O-])O[C@H]1[C@H](O)[C@@H](OP(=O)([O-])[O-])[C@H](O)[C@@H](OP(=O)([O-])[O-])[C@H]1O
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
SLM:000446362
slm:000446362
1-(13-methyltetradecanoyl)-2-(6Z-octadecenoyl)-sn-glycero-3-phospho-1D-myo-inositol-3,5-bisphosphate
PIP2[3,5](15:0/18:1(6Z))