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lipid IIA

Properties

Image

Occurences in reactions

MNX_ID

MNXM727330

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	0

formula

C₇₃H₁₃₇N₃O₂₆P₂

charge

-2

mass

1533.89765

reference

metacycM:CPD-13350

InChIKey

PFCJLVPZSRTASP-ISFHUDAKSA-L

InChI

InChI=1S/C73H139N3O26P2/c1-5-9-13-17-21-25-29-33-37-41-52(78)45-59(82)75-63-69(98-61(84)47-54(80)43-39-35-31-27-23-19-15-11-7-3)66(87)58(97-72(63)101-103(89,90)91)51-95-71-64(76-60(83)46-53(79)42-38-34-30-26-22-18-14-10-6-2)70(99-62(85)48-55(81)44-40-36-32-28-24-20-16-12-8-4)68(57(49-77)96-71)100-104(92,93)102-73-67(88)65(86)56(74)50-94-73/h52-58,63-73,77-81,86-88H,5-51,74H2,1-4H3,(H,75,82)(H,76,83)(H,92,93)(H2,89,90,91)/p-2/t52-,53-,54-,55-,56+,57-,58-,63-,64-,65+,66-,67-,68-,69-,70-,71-,72-,73-/m1/s1

SMILES

CCCCCCCCCCC[C@@H](O)CC(=O)N[C@H]1[C@@H](OP(=O)([O-])[O-])O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](OP(=O)([O-])O[C@H]3OC[C@H]([NH3+])[C@H](O)[C@H]3O)[C@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@H]2NC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H](O)[C@@H]1OC(=O)C[C@H](O)CCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
metacyc.compound:CPD-13350 metacycM:CPD-13350	lipid IIA
seed.compound:cpd21124 seedM:cpd21124	Lipid IIA lipid IIA
seedM:M_cpd21124	secondary/obsolete/fantasy identifier