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1-(21Z,24Z,27Z,30Z-hexatriacontatetraenoyl)-2-butanoyl-sn-glycero-3-phospho-N-dodecanoyl-ethanolamine

PropertiesImage
MNX_IDMNXM968178 Image of MNXM968178
referenceslm:000660563
formulaC57H103NO9P
global charge-1
mol weight977.423
InChIKeySGKQSSXXOIAOES-OXLZCZEASA-M
InChIInChI=1S/C57H104NO9P/c1-4-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-42-44-46-49-56(60)64-52-54(67-57(61)47-6-3)53-66-68(62,63)65-51-50-58-55(59)48-45-43-41-39-14-12-10-8-5-2/h13,15,17-18,20-21,23-24,54H,4-12,14,16,19,22,25-53H2,1-3H3,(H,58,59)(H,62,63)/p-1/b15-13-,18-17-,21-20-,24-23-/t54-/m1/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)CCCCCCCCCCC)OC(=O)CCC
MNX internals
InChI (mnx)InChI=1/C57H104NO9P/c1-4-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-42-44-46-49-56(60)64-52-54(67-57(61)47-6-3)53-66-68(62,63)65-51-50-58-55(59)48-45-43-41-39-14-12-10-8-5-2/h13,15,17-18,20-21,23-24,54H,4-12,14,16,19,22,25-53H2,1-3H3,(H,58,59)(H,62,63)/b15-13-,18-17-,21-20-,24-23-/t54-/m1/s1 Image of MNXM968178
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:9][CH2:11]/[CH:13]=[CH:15]\[CH2:16]/[CH:17]=[CH:18]\[CH2:19]/[CH:20]=[CH:21]\[CH2:22]/[CH:23]=[CH:24]\[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:49][C:56](=[O:60])[O:64][CH2:52][C@H:54]([CH2:53][O:66][P:68]([OH:62])(=[O:63])[O:65][CH2:51][CH2:50][N:58]=[C:55]([CH2:48][CH2:45][CH2:43][CH2:41][CH2:39][CH2:14][CH2:12][CH2:10][CH2:8][CH2:5][CH3:2])[OH:59])[O:67][C:57]([CH2:47][CH2:6][CH3:3])=[O:61]
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:000660563
slm:000660563
SGKQSSXXOIAOES-OXLZCZEASA-M
1-(21Z,24Z,27Z,30Z-hexatriacontatetraenoyl)-2-butanoyl-sn-glycero-3-phospho-N-dodecanoyl-ethanolamine
N-dodecanoyl-1-(21Z,24Z,27Z,30Z-hexatriacontatetraenoyl)-2-butanoyl-sn-glycero-3-phosphoethanolamine
NAPE (36:4(21Z,24Z,27Z,30Z)/4:0/12:0)