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1-O-(1Z-triacontenyl)-2-heptadecanoyl-sn-glycero-3-phospho-N-dodecanoyl-ethanolamine

PropertiesImage
MNX_IDMNXM1018596 Image of MNXM1018596
referenceslm:000710985
formulaC64H125NO8P
global charge-1
mol weight1067.677
InChIKeyHHBWBPAZYDNNPK-ZPQKKXFXSA-M
InChIInChI=1S/C64H126NO8P/c1-4-7-10-13-16-19-21-23-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-42-45-48-51-54-58-70-60-62(73-64(67)56-53-50-47-44-41-39-24-22-20-17-14-11-8-5-2)61-72-74(68,69)71-59-57-65-63(66)55-52-49-46-43-18-15-12-9-6-3/h54,58,62H,4-53,55-57,59-61H2,1-3H3,(H,65,66)(H,68,69)/p-1/b58-54-/t62-/m1/s1
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)([O-])OCCNC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C64H126NO8P/c1-4-7-10-13-16-19-21-23-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-42-45-48-51-54-58-70-60-62(73-64(67)56-53-50-47-44-41-39-24-22-20-17-14-11-8-5-2)61-72-74(68,69)71-59-57-65-63(66)55-52-49-46-43-18-15-12-9-6-3/h54,58,62H,4-53,55-57,59-61H2,1-3H3,(H,65,66)(H,68,69)/b58-54-/t62-/m1/s1 Image of MNXM1018596
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:21][CH2:23][CH2:25][CH2:26][CH2:27][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][CH2:45][CH2:48][CH2:51]/[CH:54]=[CH:58]\[O:70][CH2:60][C@H:62]([CH2:61][O:72][P:74]([OH:68])(=[O:69])[O:71][CH2:59][CH2:57][N:65]=[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:66])[O:73][C:64]([CH2:56][CH2:53][CH2:50][CH2:47][CH2:44][CH2:41][CH2:39][CH2:24][CH2:22][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:67]
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:000710985
slm:000710985
HHBWBPAZYDNNPK-ZPQKKXFXSA-M
1-O-(1Z-triacontenyl)-2-heptadecanoyl-sn-glycero-3-phospho-N-dodecanoyl-ethanolamine
N-dodecanoyl-1-O-(1Z-triacontenyl)-2-heptadecanoyl-sn-glycero-3-phosphoethanolamine
NAPE (P-30:0/17:0/12:0)