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1-(21Z,24Z,27Z,30Z,33Z-hexatriacontapentaenoyl)-2-decanoyl-sn-glycero-3-phospho-N-(9Z-octadecenoyl)-ethanolamine

PropertiesImage
MNX_IDMNXM938830 Image of MNXM938830
referenceslm:000631215
formulaC69H123NO9P
global charge-1
mol weight1141.715
InChIKeyWLTMBGJMGVOKSH-MLYPAOOBSA-M
InChIInChI=1S/C69H124NO9P/c1-4-7-10-13-16-18-20-22-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-43-45-47-49-52-54-57-60-68(72)76-64-66(79-69(73)61-58-55-50-15-12-9-6-3)65-78-80(74,75)77-63-62-70-67(71)59-56-53-51-48-46-44-42-23-21-19-17-14-11-8-5-2/h7,10,16,18,22-24,26-27,29-30,42,66H,4-6,8-9,11-15,17,19-21,25,28,31-41,43-65H2,1-3H3,(H,70,71)(H,74,75)/p-1/b10-7-,18-16-,24-22-,27-26-,30-29-,42-23-/t66-/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)CCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C69H124NO9P/c1-4-7-10-13-16-18-20-22-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-43-45-47-49-52-54-57-60-68(72)76-64-66(79-69(73)61-58-55-50-15-12-9-6-3)65-78-80(74,75)77-63-62-70-67(71)59-56-53-51-48-46-44-42-23-21-19-17-14-11-8-5-2/h7,10,16,18,22-24,26-27,29-30,42,66H,4-6,8-9,11-15,17,19-21,25,28,31-41,43-65H2,1-3H3,(H,70,71)(H,74,75)/b10-7-,18-16-,24-22-,27-26-,30-29-,42-23-/t66-/m1/s1 Image of MNXM938830
SMILES (mnx)[CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:16]=[CH:18]\[CH2:20]/[CH:22]=[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][CH2:39][CH2:40][CH2:41][CH2:43][CH2:45][CH2:47][CH2:49][CH2:52][CH2:54][CH2:57][CH2:60][C:68](=[O:72])[O:76][CH2:64][C@H:66]([CH2:65][O:78][P:80]([OH:74])(=[O:75])[O:77][CH2:63][CH2:62][N:70]=[C:67]([CH2:59][CH2:56][CH2:53][CH2:51][CH2:48][CH2:46][CH2:44]/[CH:42]=[CH:23]\[CH2:21][CH2:19][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])[OH:71])[O:79][C:69]([CH2:61][CH2:58][CH2:55][CH2:50][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:73]
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:000631215
slm:000631215
WLTMBGJMGVOKSH-MLYPAOOBSA-M
1-(21Z,24Z,27Z,30Z,33Z-hexatriacontapentaenoyl)-2-decanoyl-sn-glycero-3-phospho-N-(9Z-octadecenoyl)-ethanolamine
N-(9Z-octadecenoyl)-1-(21Z,24Z,27Z,30Z,33Z-hexatriacontapentaenoyl)-2-decanoyl-sn-glycero-3-phosphoethanolamine
NAPE (36:5(21Z,24Z,27Z,30Z,33Z)/10:0/18:1(9Z))