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Substance Name: 1,2-(Oleoyl)-N-(6-((7-nitrobenz-2-oxa-1,3-diazo-4-yl)aminocaproyl))phosphatidylinositol
RN: 110121-15-8
InChIKey: VYZAUTQLNRWWCV-XYCDMHJSSA-N

Molecular Formula

  • C39-H66-N4-O16-P

Molecular Weight

  • 876.9285
 
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Names and Synonyms

Name of Substance

  • 1,2-(Oleoyl)-N-(6-((7-nitrobenz-2-oxa-1,3-diazo-4-yl)aminocaproyl))phosphatidylinositol

Synonym

  • C6-Nbd-PI

Systematic Name

  • D-myo-Inositol, 1-((2-((6-((1,3-dihydro-7-nitro-4-benzofurazanyl)amino)-1-oxohexyl)oxy)-3-((1-oxo-9-octadecenyl)oxy)propyl) hydrogen phosphate), (Z)-

Registry Numbers

CAS Registry Number

  • 110121-15-8

System Generated Number

  • 0110121158

Structure Descriptors

InChI

1S/C39H65N4O16P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-30(44)55-25-27(26-56-60(53,54)58-39-37(49)35(47)34(46)36(48)38(39)50)57-31(45)21-18-16-19-24-40-28-22-23-29(43(51)52)33-32(28)41-59-42-33/h9-10,22-23,27,34-42,46-50H,2-8,11-21,24-26H2,1H3,(H,53,54)/b10-9-/t27?,34-,35-,36+,37-,38-,39-/m0/s1

InChIKey

VYZAUTQLNRWWCV-XYCDMHJSSA-N

Smiles

CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COP(=O)(O)O[C@@H]1[C@H]([C@@H]([C@H]([C@@H]([C@@H]1O)O)O)O)O)OC(=O)CCCCCNc2ccc(c3c2NON3)[N+](=O)[O-]