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1-butanoyl-2-heneicosanoyl-sn-glycero-3-phosphate

PropertiesImage
MNX_IDMNXM344302 Image of MNXM344302
referenceslm:000025641
formulaC28H53O8P
global charge-2
mol weight548.698
InChIKeyOCVTUWHNMPDZAJ-AREMUKBSSA-L
InChIInChI=1S/C28H55O8P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-28(30)36-26(25-35-37(31,32)33)24-34-27(29)22-4-2/h26H,3-25H2,1-2H3,(H2,31,32,33)/p-2/t26-/m1/s1
SMILESCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC)COP(=O)([O-])[O-]
MNX internals
InChI (mnx)InChI=1/C28H55O8P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-28(30)36-26(25-35-37(31,32)33)24-34-27(29)22-4-2/h26H,3-25H2,1-2H3,(H2,31,32,33)/t26-/m1/s1 Image of MNXM344302
SMILES (mnx)[CH3:1][CH2:3][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:23][C:28](=[O:30])[O:36][C@H:26]([CH2:24][O:34][C:27]([CH2:22][CH2:4][CH3:2])=[O:29])[CH2:25][O:35][P:37]([OH:31])([OH:32])=[O:33]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

SLM:000025641
slm:000025641
OCVTUWHNMPDZAJ-AREMUKBSSA-L
1-butanoyl-2-heneicosanoyl-sn-glycero-3-phosphate
PA(4:0/21:0)
Phosphatidate (4:0/21:0)