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1-(9Z,12Z-octadecadienoyl)-2-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phospho-1D-myo-inositol

Properties

Image

Occurences in reactions

MNX_ID

MNXM32571

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

formula

C₄₅H₇₆O₁₃P

charge

-1

mass

855.5029

reference

slm:000018618

InChIKey

WMMFFYJKTYDOCO-NENLYGQWSA-M

InChI

InChI=1S/C45H77O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)55-35-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)57-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,37,40-45,48-52H,3-5,7,9-10,15-16,21-36H2,1-2H3,(H,53,54)/p-1/b8-6-,13-11-,14-12-,19-17-,20-18-/t37-,40-,41-,42+,43-,44-,45-/m1/s1

SMILES

CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COP(=O)([O-])O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
SLM:000018618 slm:000018618	1-(9Z,12Z-octadecadienoyl)-2-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phospho-1D-myo-inositol PI(18:2(9Z,12Z)/18:3(9Z,12Z,15Z)) Phosphatidylinositol (18:2(9Z,12Z)/18:3(9Z,12Z,15Z))
seed.compound:cpd25180 seedM:cpd25180	1-(9Z,12Z-octadecadienoyl)-2-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phospho-(1'-myo-inositol) 1-18:2-2-18:3-phosphatidylinositol 18:2-18:3-PI
metacyc.compound:CPD-8330 metacycM:CPD-8330	1-18:2-2-18:3-phosphatidylinositol 1-(9Z,12Z-octadecadienoyl)-2-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phospho-(1'-myo-inositol) 18:2-18:3-PI
seedM:M_cpd25180	secondary/obsolete/fantasy identifier