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1-(10Z,13Z,16Z,19Z,22Z,25Z-octacosahexaenoyl)-2-docosanoyl-sn-glycero-3-phosphate

PropertiesImage
MNX_IDMNXM180463 Image of MNXM180463
referenceslm:000020838
formulaC53H91O8P
global charge-2
mol weight887.277
InChIKeyDWHVOCVHKAQOSG-DDCHCZCPSA-L
InChIInChI=1S/C53H93O8P/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-30-31-33-35-37-39-41-43-45-47-52(54)59-49-51(50-60-62(56,57)58)61-53(55)48-46-44-42-40-38-36-34-32-29-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,23-24,26-27,30-31,51H,3-4,6,8-10,12,14-16,18,20-22,25,28-29,32-50H2,1-2H3,(H2,56,57,58)/p-2/b7-5-,13-11-,19-17-,24-23-,27-26-,31-30-/t51-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)OC[C@H](COP(=O)([O-])[O-])OC(=O)CCCCCCCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C53H93O8P/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-30-31-33-35-37-39-41-43-45-47-52(54)59-49-51(50-60-62(56,57)58)61-53(55)48-46-44-42-40-38-36-34-32-29-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,23-24,26-27,30-31,51H,3-4,6,8-10,12,14-16,18,20-22,25,28-29,32-50H2,1-2H3,(H2,56,57,58)/b7-5-,13-11-,19-17-,24-23-,27-26-,31-30-/t51-/m1/s1 Image of MNXM180463
SMILES (mnx)[CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:21]/[CH:23]=[CH:24]\[CH2:25]/[CH:26]=[CH:27]\[CH2:28]/[CH:30]=[CH:31]\[CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][C:52](=[O:54])[O:59][CH2:49][C@H:51]([CH2:50][O:60][P:62]([OH:56])([OH:57])=[O:58])[O:61][C:53]([CH2:48][CH2:46][CH2:44][CH2:42][CH2:40][CH2:38][CH2:36][CH2:34][CH2:32][CH2:29][CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:55]
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:000020838
slm:000020838
DWHVOCVHKAQOSG-DDCHCZCPSA-L
1-(10Z,13Z,16Z,19Z,22Z,25Z-octacosahexaenoyl)-2-docosanoyl-sn-glycero-3-phosphate
PA(28:6(10Z,13Z,16Z,19Z,22Z,25Z)/22:0)
Phosphatidate (28:6(10Z,13Z,16Z,19Z,22Z,25Z)/22:0)