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1-O-(1Z,9Z,12Z-octadecatrienyl)-2-(18Z,21Z,24Z,27Z,30Z,33Z-hexatriacontahexaenoyl)-sn-glycero-3-phospho-N-(9Z,12Z-octadecadienoyl)-ethanolamine

PropertiesImage
MNX_IDMNXM1023936 Image of MNXM1023936
referenceslm:000716325
formulaC77H131NO8P
global charge-1
mol weight1229.868
InChIKeyGJOWKYARWVQKQL-WMIHMHFASA-M
InChIInChI=1S/C77H132NO8P/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-46-48-51-54-57-60-63-66-69-77(80)86-75(73-83-71-67-64-61-58-55-52-49-29-26-23-20-17-14-11-8-5-2)74-85-87(81,82)84-72-70-78-76(79)68-65-62-59-56-53-50-47-27-24-21-18-15-12-9-6-3/h7,10,16-21,25-29,31-32,34-35,37-38,47,67,71,75H,4-6,8-9,11-15,22-24,30,33,36,39-46,48-66,68-70,72-74H2,1-3H3,(H,78,79)(H,81,82)/p-1/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,32-31-,35-34-,38-37-,47-27-,71-67-/t75-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCC(=O)O[C@H](CO/C=C\CCCCCC/C=C\C/C=C\CCCCC)COP(=O)([O-])OCCNC(=O)CCCCCCC/C=C\C/C=C\CCCCC
MNX internals
InChI (mnx)InChI=1/C77H132NO8P/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-46-48-51-54-57-60-63-66-69-77(80)86-75(73-83-71-67-64-61-58-55-52-49-29-26-23-20-17-14-11-8-5-2)74-85-87(81,82)84-72-70-78-76(79)68-65-62-59-56-53-50-47-27-24-21-18-15-12-9-6-3/h7,10,16-21,25-29,31-32,34-35,37-38,47,67,71,75H,4-6,8-9,11-15,22-24,30,33,36,39-46,48-66,68-70,72-74H2,1-3H3,(H,78,79)(H,81,82)/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,32-31-,35-34-,38-37-,47-27-,71-67-/t75-/m1/s1 Image of MNXM1023936
SMILES (mnx)[CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:28]\[CH2:30]/[CH:31]=[CH:32]\[CH2:33]/[CH:34]=[CH:35]\[CH2:36]/[CH:37]=[CH:38]\[CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH2:46][CH2:48][CH2:51][CH2:54][CH2:57][CH2:60][CH2:63][CH2:66][CH2:69][C:77](=[O:80])[O:86][C@H:75]([CH2:73][O:83]/[CH:71]=[CH:67]\[CH2:64][CH2:61][CH2:58][CH2:55][CH2:52][CH2:49]/[CH:29]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])[CH2:74][O:85][P:87]([OH:81])(=[O:82])[O:84][CH2:72][CH2:70][N:78]=[C:76]([CH2:68][CH2:65][CH2:62][CH2:59][CH2:56][CH2:53][CH2:50]/[CH:47]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[OH:79]
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:000716325
slm:000716325
GJOWKYARWVQKQL-WMIHMHFASA-M
1-O-(1Z,9Z,12Z-octadecatrienyl)-2-(18Z,21Z,24Z,27Z,30Z,33Z-hexatriacontahexaenoyl)-sn-glycero-3-phospho-N-(9Z,12Z-octadecadienoyl)-ethanolamine
N-(9Z,12Z-octadecadienoyl)-1-O-(1Z,9Z,12Z-octadecatrienyl)-2-(18Z,21Z,24Z,27Z,30Z,33Z-hexatriacontahexaenoyl)-sn-glycero-3-phosphoethanolamine
NAPE (P-18:2(9Z,12Z)/36:6(18Z,21Z,24Z,27Z,30Z,33Z)/18:2(9Z,12Z))