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1-O-octacosyl-2-(13Z-docosenoyl)-sn-glycero-3-phospho-N-(11Z-octadecenoyl)-ethanolamine

PropertiesImage
MNX_IDMNXM1038457 Image of MNXM1038457
referenceslm:000730846
formulaC73H141NO8P
global charge-1
mol weight1191.904
InChIKeyLIPGCVFKSNTEPQ-TYABADSSSA-M
InChIInChI=1S/C73H142NO8P/c1-4-7-10-13-16-19-22-25-28-30-32-33-34-35-36-37-38-40-42-45-48-51-54-57-60-63-67-79-69-71(82-73(76)65-62-59-56-53-50-47-44-41-39-31-29-26-23-20-17-14-11-8-5-2)70-81-83(77,78)80-68-66-74-72(75)64-61-58-55-52-49-46-43-27-24-21-18-15-12-9-6-3/h21,24,26,29,71H,4-20,22-23,25,27-28,30-70H2,1-3H3,(H,74,75)(H,77,78)/p-1/b24-21-,29-26-/t71-/m1/s1
SMILESCCCCCC/C=C\CCCCCCCCCC(=O)NCCOP(=O)([O-])OC[C@@H](COCCCCCCCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC/C=C\CCCCCCCC
MNX internals
InChI (mnx)InChI=1/C73H142NO8P/c1-4-7-10-13-16-19-22-25-28-30-32-33-34-35-36-37-38-40-42-45-48-51-54-57-60-63-67-79-69-71(82-73(76)65-62-59-56-53-50-47-44-41-39-31-29-26-23-20-17-14-11-8-5-2)70-81-83(77,78)80-68-66-74-72(75)64-61-58-55-52-49-46-43-27-24-21-18-15-12-9-6-3/h21,24,26,29,71H,4-20,22-23,25,27-28,30-70H2,1-3H3,(H,74,75)(H,77,78)/b24-21-,29-26-/t71-/m1/s1 Image of MNXM1038457
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22][CH2:25][CH2:28][CH2:30][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:40][CH2:42][CH2:45][CH2:48][CH2:51][CH2:54][CH2:57][CH2:60][CH2:63][CH2:67][O:79][CH2:69][C@H:71]([CH2:70][O:81][P:83]([OH:77])(=[O:78])[O:80][CH2:68][CH2:66][N:74]=[C:72]([CH2:64][CH2:61][CH2:58][CH2:55][CH2:52][CH2:49][CH2:46][CH2:43][CH2:27]/[CH:24]=[CH:21]\[CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[OH:75])[O:82][C:73]([CH2:65][CH2:62][CH2:59][CH2:56][CH2:53][CH2:50][CH2:47][CH2:44][CH2:41][CH2:39][CH2:31]/[CH:29]=[CH:26]\[CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:76]
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:000730846
slm:000730846
LIPGCVFKSNTEPQ-TYABADSSSA-M
1-O-octacosyl-2-(13Z-docosenoyl)-sn-glycero-3-phospho-N-(11Z-octadecenoyl)-ethanolamine
N-(11Z-octadecenoyl)-1-O-octacosyl-2-(13Z-docosenoyl)-sn-glycero-3-phosphoethanolamine
NAPE (O-28:0/22:1(13Z)/18:1(11Z))