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1-(17Z,20Z,23Z,26Z-dotriacontatetraenoyl)-2-(6Z-hexadecenoyl)-sn-glycero-3-phospho-N-dodecanoyl-ethanolamine

PropertiesImage
MNX_IDMNXM966764 Image of MNXM966764
referenceslm:000659149
formulaC65H117NO9P
global charge-1
mol weight1087.623
InChIKeyGNNSJXJWJOCFCQ-DGASQEKZSA-M
InChIInChI=1S/C65H118NO9P/c1-4-7-10-13-16-19-21-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-41-44-47-50-53-56-64(68)72-60-62(75-65(69)57-54-51-48-45-42-39-22-20-17-14-11-8-5-2)61-74-76(70,71)73-59-58-66-63(67)55-52-49-46-43-18-15-12-9-6-3/h16,19,23-24,26-27,29-30,42,45,62H,4-15,17-18,20-22,25,28,31-41,43-44,46-61H2,1-3H3,(H,66,67)(H,70,71)/p-1/b19-16-,24-23-,27-26-,30-29-,45-42-/t62-/m1/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)CCCCCCCCCCC)OC(=O)CCCC/C=C\CCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C65H118NO9P/c1-4-7-10-13-16-19-21-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-41-44-47-50-53-56-64(68)72-60-62(75-65(69)57-54-51-48-45-42-39-22-20-17-14-11-8-5-2)61-74-76(70,71)73-59-58-66-63(67)55-52-49-46-43-18-15-12-9-6-3/h16,19,23-24,26-27,29-30,42,45,62H,4-15,17-18,20-22,25,28,31-41,43-44,46-61H2,1-3H3,(H,66,67)(H,70,71)/b19-16-,24-23-,27-26-,30-29-,45-42-/t62-/m1/s1 Image of MNXM966764
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:21]/[CH:23]=[CH:24]\[CH2:25]/[CH:26]=[CH:27]\[CH2:28]/[CH:29]=[CH:30]\[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:40][CH2:41][CH2:44][CH2:47][CH2:50][CH2:53][CH2:56][C:64](=[O:68])[O:72][CH2:60][C@H:62]([CH2:61][O:74][P:76]([OH:70])(=[O:71])[O:73][CH2:59][CH2:58][N:66]=[C:63]([CH2:55][CH2:52][CH2:49][CH2:46][CH2:43][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[OH:67])[O:75][C:65]([CH2:57][CH2:54][CH2:51][CH2:48]/[CH:45]=[CH:42]\[CH2:39][CH2:22][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:69]
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:000659149
slm:000659149
GNNSJXJWJOCFCQ-DGASQEKZSA-M
1-(17Z,20Z,23Z,26Z-dotriacontatetraenoyl)-2-(6Z-hexadecenoyl)-sn-glycero-3-phospho-N-dodecanoyl-ethanolamine
N-dodecanoyl-1-(17Z,20Z,23Z,26Z-dotriacontatetraenoyl)-2-(6Z-hexadecenoyl)-sn-glycero-3-phosphoethanolamine
NAPE (32:4(17Z,20Z,23Z,26Z)/16:1(6Z)/12:0)