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1-O-(1Z,13Z-docosadienyl)-2-triacontanoyl-sn-glycero-3-phospho-N-octanoyl-ethanolamine

PropertiesImage
MNX_IDMNXM1022444 Image of MNXM1022444
referenceslm:000714833
formulaC65H125NO8P
global charge-1
mol weight1079.688
InChIKeyHBFHBSLZXCWCLR-HOMPWGHGSA-M
InChIInChI=1S/C65H126NO8P/c1-4-7-10-13-15-17-19-21-23-25-27-29-30-31-32-33-34-35-36-38-40-42-44-46-48-51-54-57-65(68)74-63(62-73-75(69,70)72-60-58-66-64(67)56-53-50-12-9-6-3)61-71-59-55-52-49-47-45-43-41-39-37-28-26-24-22-20-18-16-14-11-8-5-2/h22,24,55,59,63H,4-21,23,25-54,56-58,60-62H2,1-3H3,(H,66,67)(H,69,70)/p-1/b24-22-,59-55-/t63-/m1/s1
SMILESCCCCCCCC/C=C\CCCCCCCCCC/C=C\OC[C@H](COP(=O)([O-])OCCNC(=O)CCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C65H126NO8P/c1-4-7-10-13-15-17-19-21-23-25-27-29-30-31-32-33-34-35-36-38-40-42-44-46-48-51-54-57-65(68)74-63(62-73-75(69,70)72-60-58-66-64(67)56-53-50-12-9-6-3)61-71-59-55-52-49-47-45-43-41-39-37-28-26-24-22-20-18-16-14-11-8-5-2/h22,24,55,59,63H,4-21,23,25-54,56-58,60-62H2,1-3H3,(H,66,67)(H,69,70)/b24-22-,59-55-/t63-/m1/s1 Image of MNXM1022444
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][CH2:51][CH2:54][CH2:57][C:65](=[O:68])[O:74][C@H:63]([CH2:61][O:71]/[CH:59]=[CH:55]\[CH2:52][CH2:49][CH2:47][CH2:45][CH2:43][CH2:41][CH2:39][CH2:37][CH2:28][CH2:26]/[CH:24]=[CH:22]\[CH2:20][CH2:18][CH2:16][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])[CH2:62][O:73][P:75]([OH:69])(=[O:70])[O:72][CH2:60][CH2:58][N:66]=[C:64]([CH2:56][CH2:53][CH2:50][CH2:12][CH2:9][CH2:6][CH3:3])[OH: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:000714833
slm:000714833
HBFHBSLZXCWCLR-HOMPWGHGSA-M
1-O-(1Z,13Z-docosadienyl)-2-triacontanoyl-sn-glycero-3-phospho-N-octanoyl-ethanolamine
N-octanoyl-1-O-(1Z,13Z-docosadienyl)-2-triacontanoyl-sn-glycero-3-phosphoethanolamine
NAPE (P-22:1(13Z)/30:0/8:0)