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Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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1-heptadecanoyl-2-(11E-octadecenoyl)-sn-glycero-3-phospho-1D-myo-inositol-3,4-bisphosphate
Properties
Image
Occurences in reactions
MNX_ID
MNXM360018
#reac
in my sandbox
0
in MNXref (generic)
0
in models (compartimentalized)
0
formula
C
44
H
80
O
19
P
3
charge
-5
mass
1005.45341
reference
slm:000431397
InChIKey
WFSDPJPKLGMWOO-JFBANMDRSA-I
InChI
InChI=1S/C44H85O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)60-36(34-58-37(45)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)35-59-66(56,57)63-42-39(47)40(48)43(61-64(50,51)52)44(41(42)49)62-65(53,54)55/h13,15,36,39-44,47-49H,3-12,14,16-35H2,1-2H3,(H,56,57)(H2,50,51,52)(H2,53,54,55)/p-5/b15-13+/t36-,39-,40-,41+,42+,43+,44+/m1/s1
SMILES
CCCCCC/C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCC)COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](OP(=O)([O-])[O-])[C@@H](OP(=O)([O-])[O-])[C@H](O)[C@H]1O
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
SLM:000431397
slm:000431397
1-heptadecanoyl-2-(11E-octadecenoyl)-sn-glycero-3-phospho-1D-myo-inositol-3,4-bisphosphate
PIP2[3,4](17:0/18:1(11E))