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1-O-(1Z,13Z-octadecadienyl)-2-(19Z,22Z,25Z,28Z,31Z-tetratriacontapentaenoyl)-sn-glycero-3-phospho-N-octanoyl-ethanolamine

PropertiesImage
MNX_IDMNXM1024964 Image of MNXM1024964
referenceslm:000717353
formulaC65H115NO8P
global charge-1
mol weight1069.608
InChIKeyBHXXAFKMLQOMGA-ALLVETODSA-M
InChIInChI=1S/C65H116NO8P/c1-4-7-10-13-15-17-19-21-23-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-42-44-46-48-51-54-57-65(68)74-63(62-73-75(69,70)72-60-58-66-64(67)56-53-50-12-9-6-3)61-71-59-55-52-49-47-45-43-41-24-22-20-18-16-14-11-8-5-2/h7,10,14-17,21,23,26-27,29-30,55,59,63H,4-6,8-9,11-13,18-20,22,24-25,28,31-54,56-58,60-62H2,1-3H3,(H,66,67)(H,69,70)/p-1/b10-7-,16-14-,17-15-,23-21-,27-26-,30-29-,59-55-/t63-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCC(=O)O[C@H](CO/C=C\CCCCCCCCCC/C=C\CCCC)COP(=O)([O-])OCCNC(=O)CCCCCCC
MNX internals
InChI (mnx)InChI=1/C65H116NO8P/c1-4-7-10-13-15-17-19-21-23-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-42-44-46-48-51-54-57-65(68)74-63(62-73-75(69,70)72-60-58-66-64(67)56-53-50-12-9-6-3)61-71-59-55-52-49-47-45-43-41-24-22-20-18-16-14-11-8-5-2/h7,10,14-17,21,23,26-27,29-30,55,59,63H,4-6,8-9,11-13,18-20,22,24-25,28,31-54,56-58,60-62H2,1-3H3,(H,66,67)(H,69,70)/b10-7-,16-14-,17-15-,23-21-,27-26-,30-29-,59-55-/t63-/m1/s1 Image of MNXM1024964
SMILES (mnx)[CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:15]=[CH:17]\[CH2:19]/[CH:21]=[CH:23]\[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][CH2:42][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][CH2:24][CH2:22][CH2:20][CH2:18]/[CH:16]=[CH: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:000717353
slm:000717353
BHXXAFKMLQOMGA-ALLVETODSA-M
1-O-(1Z,13Z-octadecadienyl)-2-(19Z,22Z,25Z,28Z,31Z-tetratriacontapentaenoyl)-sn-glycero-3-phospho-N-octanoyl-ethanolamine
N-octanoyl-1-O-(1Z,13Z-octadecadienyl)-2-(19Z,22Z,25Z,28Z,31Z-tetratriacontapentaenoyl)-sn-glycero-3-phosphoethanolamine
NAPE (P-18:1(13Z)/34:5(19Z,22Z,25Z,28Z,31Z)/8:0)