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1-O-octadecyl-2-(17Z,20Z,23Z,26Z,29Z-dotriacontapentaenoyl)-sn-glycero-3-phospho-N-hexadecanoyl-ethanolamine

PropertiesImage
MNX_IDMNXM1032010 Image of MNXM1032010
referenceslm:000724399
formulaC71H131NO8P
global charge-1
mol weight1157.802
InChIKeyISRMARNGYCMIPQ-KYYDLSIPSA-M
InChIInChI=1S/C71H132NO8P/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-33-34-35-36-37-38-39-40-41-42-45-48-51-54-57-60-63-71(74)80-69(67-77-65-61-58-55-52-49-46-43-28-26-23-20-17-14-11-8-5-2)68-79-81(75,76)78-66-64-72-70(73)62-59-56-53-50-47-44-24-21-18-15-12-9-6-3/h7,10,16,19,25,27,30-31,33-34,69H,4-6,8-9,11-15,17-18,20-24,26,28-29,32,35-68H2,1-3H3,(H,72,73)(H,75,76)/p-1/b10-7-,19-16-,27-25-,31-30-,34-33-/t69-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCC(=O)O[C@H](COCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OCCNC(=O)CCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C71H132NO8P/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-33-34-35-36-37-38-39-40-41-42-45-48-51-54-57-60-63-71(74)80-69(67-77-65-61-58-55-52-49-46-43-28-26-23-20-17-14-11-8-5-2)68-79-81(75,76)78-66-64-72-70(73)62-59-56-53-50-47-44-24-21-18-15-12-9-6-3/h7,10,16,19,25,27,30-31,33-34,69H,4-6,8-9,11-15,17-18,20-24,26,28-29,32,35-68H2,1-3H3,(H,72,73)(H,75,76)/b10-7-,19-16-,27-25-,31-30-,34-33-/t69-/m1/s1 Image of MNXM1032010
SMILES (mnx)[CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:27]\[CH2:29]/[CH:30]=[CH:31]\[CH2:32]/[CH:33]=[CH:34]\[CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH2:45][CH2:48][CH2:51][CH2:54][CH2:57][CH2:60][CH2:63][C:71](=[O:74])[O:80][C@H:69]([CH2:67][O:77][CH2:65][CH2:61][CH2:58][CH2:55][CH2:52][CH2:49][CH2:46][CH2:43][CH2:28][CH2:26][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])[CH2:68][O:79][P:81]([OH:75])(=[O:76])[O:78][CH2:66][CH2:64][N:72]=[C:70]([CH2:62][CH2:59][CH2:56][CH2:53][CH2:50][CH2:47][CH2:44][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[OH:73]
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:000724399
slm:000724399
ISRMARNGYCMIPQ-KYYDLSIPSA-M
1-O-octadecyl-2-(17Z,20Z,23Z,26Z,29Z-dotriacontapentaenoyl)-sn-glycero-3-phospho-N-hexadecanoyl-ethanolamine
N-hexadecanoyl-1-O-octadecyl-2-(17Z,20Z,23Z,26Z,29Z-dotriacontapentaenoyl)-sn-glycero-3-phosphoethanolamine
NAPE (O-18:0/32:5(17Z,20Z,23Z,26Z,29Z)/16:0)