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1-(21Z,24Z,27Z,30Z,33Z-hexatriacontapentaenoyl)-2-propionyl-sn-glycero-3-phospho-N-dodecanoyl-ethanolamine

PropertiesImage
MNX_IDMNXM938764 Image of MNXM938764
referenceslm:000631149
formulaC56H99NO9P
global charge-1
mol weight961.38
InChIKeyAHEWFWDAMSWDMI-PSCVGRMOSA-M
InChIInChI=1S/C56H100NO9P/c1-4-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-42-44-46-48-56(60)63-51-53(66-55(59)6-3)52-65-67(61,62)64-50-49-57-54(58)47-45-43-41-39-14-12-10-8-5-2/h7,9,13,15,17-18,20-21,23-24,53H,4-6,8,10-12,14,16,19,22,25-52H2,1-3H3,(H,57,58)(H,61,62)/p-1/b9-7-,15-13-,18-17-,21-20-,24-23-/t53-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)CCCCCCCCCCC)OC(=O)CC
MNX internals
InChI (mnx)InChI=1/C56H100NO9P/c1-4-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-42-44-46-48-56(60)63-51-53(66-55(59)6-3)52-65-67(61,62)64-50-49-57-54(58)47-45-43-41-39-14-12-10-8-5-2/h7,9,13,15,17-18,20-21,23-24,53H,4-6,8,10-12,14,16,19,22,25-52H2,1-3H3,(H,57,58)(H,61,62)/b9-7-,15-13-,18-17-,21-20-,24-23-/t53-/m1/s1 Image of MNXM938764
SMILES (mnx)[CH3:1][CH2:4]/[CH:7]=[CH: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][CH2:48][C:56](=[O:60])[O:63][CH2:51][C@H:53]([CH2:52][O:65][P:67]([OH:61])(=[O:62])[O:64][CH2:50][CH2:49][N:57]=[C:54]([CH2:47][CH2:45][CH2:43][CH2:41][CH2:39][CH2:14][CH2:12][CH2:10][CH2:8][CH2:5][CH3:2])[OH:58])[O:66][C:55]([CH2:6][CH3:3])=[O:59]
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:000631149
slm:000631149
AHEWFWDAMSWDMI-PSCVGRMOSA-M
1-(21Z,24Z,27Z,30Z,33Z-hexatriacontapentaenoyl)-2-propionyl-sn-glycero-3-phospho-N-dodecanoyl-ethanolamine
N-dodecanoyl-1-(21Z,24Z,27Z,30Z,33Z-hexatriacontapentaenoyl)-2-propionyl-sn-glycero-3-phosphoethanolamine
NAPE (36:5(21Z,24Z,27Z,30Z,33Z)/3:0/12:0)