Search MNXref
 Feedback

1-(21Z,24Z,27Z,30Z,33Z-hexatriacontapentaenoyl)-2-propionyl-sn-glycero-3-phospho-N-(11Z-octadecenoyl)-ethanolamine

PropertiesImage
MNX_IDMNXM938773 Image of MNXM938773
referenceslm:000631158
formulaC62H109NO9P
global charge-1
mol weight1043.526
InChIKeyPXFWRICSCREPON-YJCHUAAYSA-M
InChIInChI=1S/C62H110NO9P/c1-4-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-42-44-46-48-50-52-54-62(66)69-57-59(72-61(65)6-3)58-71-73(67,68)70-56-55-63-60(64)53-51-49-47-45-43-41-39-20-18-16-14-12-10-8-5-2/h7,9,13,15-16,18-19,21,23-24,26-27,59H,4-6,8,10-12,14,17,20,22,25,28-58H2,1-3H3,(H,63,64)(H,67,68)/p-1/b9-7-,15-13-,18-16-,21-19-,24-23-,27-26-/t59-/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)CCCCCCCCC/C=C\CCCCCC)OC(=O)CC
MNX internals
InChI (mnx)InChI=1/C62H110NO9P/c1-4-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-42-44-46-48-50-52-54-62(66)69-57-59(72-61(65)6-3)58-71-73(67,68)70-56-55-63-60(64)53-51-49-47-45-43-41-39-20-18-16-14-12-10-8-5-2/h7,9,13,15-16,18-19,21,23-24,26-27,59H,4-6,8,10-12,14,17,20,22,25,28-58H2,1-3H3,(H,63,64)(H,67,68)/b9-7-,15-13-,18-16-,21-19-,24-23-,27-26-/t59-/m1/s1 Image of MNXM938773
SMILES (mnx)[CH3:1][CH2:4]/[CH:7]=[CH:9]\[CH2:11]/[CH:13]=[CH:15]\[CH2:17]/[CH:19]=[CH:21]\[CH2:22]/[CH:23]=[CH:24]\[CH2:25]/[CH:26]=[CH: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][CH2:50][CH2:52][CH2:54][C:62](=[O:66])[O:69][CH2:57][C@H:59]([CH2:58][O:71][P:73]([OH:67])(=[O:68])[O:70][CH2:56][CH2:55][N:63]=[C:60]([CH2:53][CH2:51][CH2:49][CH2:47][CH2:45][CH2:43][CH2:41][CH2:39][CH2:20]/[CH:18]=[CH:16]\[CH2:14][CH2:12][CH2:10][CH2:8][CH2:5][CH3:2])[OH:64])[O:72][C:61]([CH2:6][CH3:3])=[O:65]
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:000631158
slm:000631158
PXFWRICSCREPON-YJCHUAAYSA-M
1-(21Z,24Z,27Z,30Z,33Z-hexatriacontapentaenoyl)-2-propionyl-sn-glycero-3-phospho-N-(11Z-octadecenoyl)-ethanolamine
N-(11Z-octadecenoyl)-1-(21Z,24Z,27Z,30Z,33Z-hexatriacontapentaenoyl)-2-propionyl-sn-glycero-3-phosphoethanolamine
NAPE (36:5(21Z,24Z,27Z,30Z,33Z)/3:0/18:1(11Z))