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

PropertiesImage
MNX_IDMNXM938837 Image of MNXM938837
referenceslm:000631222
formulaC71H129NO9P
global charge-1
mol weight1171.785
InChIKeyOHEJRKSBCGNFKC-BGIHTYRASA-M
InChIInChI=1S/C71H130NO9P/c1-4-7-10-13-16-19-21-23-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-44-46-48-51-53-56-59-62-70(74)78-66-68(81-71(75)63-60-57-54-49-18-15-12-9-6-3)67-80-82(76,77)79-65-64-72-69(73)61-58-55-52-50-47-45-43-24-22-20-17-14-11-8-5-2/h7,10,16,19,23,25,27-28,30-31,68H,4-6,8-9,11-15,17-18,20-22,24,26,29,32-67H2,1-3H3,(H,72,73)(H,76,77)/p-1/b10-7-,19-16-,25-23-,28-27-,31-30-/t68-/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)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C71H130NO9P/c1-4-7-10-13-16-19-21-23-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-44-46-48-51-53-56-59-62-70(74)78-66-68(81-71(75)63-60-57-54-49-18-15-12-9-6-3)67-80-82(76,77)79-65-64-72-69(73)61-58-55-52-50-47-45-43-24-22-20-17-14-11-8-5-2/h7,10,16,19,23,25,27-28,30-31,68H,4-6,8-9,11-15,17-18,20-22,24,26,29,32-67H2,1-3H3,(H,72,73)(H,76,77)/b10-7-,19-16-,25-23-,28-27-,31-30-/t68-/m1/s1 Image of MNXM938837
SMILES (mnx)[CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:16]=[CH:19]\[CH2:21]/[CH:23]=[CH:25]\[CH2:26]/[CH:27]=[CH:28]\[CH2:29]/[CH:30]=[CH:31]\[CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH2:44][CH2:46][CH2:48][CH2:51][CH2:53][CH2:56][CH2:59][CH2:62][C:70](=[O:74])[O:78][CH2:66][C@H:68]([CH2:67][O:80][P:82]([OH:76])(=[O:77])[O:79][CH2:65][CH2:64][N:72]=[C:69]([CH2:61][CH2:58][CH2:55][CH2:52][CH2:50][CH2:47][CH2:45][CH2:43][CH2:24][CH2:22][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])[OH:73])[O:81][C:71]([CH2:63][CH2:60][CH2:57][CH2:54][CH2:49][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:75]
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:000631222
slm:000631222
OHEJRKSBCGNFKC-BGIHTYRASA-M
1-(21Z,24Z,27Z,30Z,33Z-hexatriacontapentaenoyl)-2-dodecanoyl-sn-glycero-3-phospho-N-octadecanoyl-ethanolamine
N-octadecanoyl-1-(21Z,24Z,27Z,30Z,33Z-hexatriacontapentaenoyl)-2-dodecanoyl-sn-glycero-3-phosphoethanolamine
NAPE (36:5(21Z,24Z,27Z,30Z,33Z)/12:0/18:0)