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1-(21Z,24Z,27Z,30Z,33Z-hexatriacontapentaenoyl)-2-(19Z,22Z,25Z,28Z,31Z-tetratriacontapentaenoyl)-sn-glycero-3-phospho-N-(9Z-octadecenoyl)-ethanolamine

PropertiesImage
MNX_IDMNXM939138 Image of MNXM939138
referenceslm:000631523
formulaC93H161NO9P
global charge-1
mol weight1468.283
InChIKeyWDRWVKXREAGQDF-NWCDCYOVSA-M
InChIInChI=1S/C93H162NO9P/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-40-42-44-45-47-48-50-52-54-56-58-60-63-66-69-72-75-78-81-84-92(96)100-88-90(89-102-104(98,99)101-87-86-94-91(95)83-80-77-74-71-68-65-62-27-24-21-18-15-12-9-6-3)103-93(97)85-82-79-76-73-70-67-64-61-59-57-55-53-51-49-46-43-41-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-29,32-35,38-41,62,90H,4-6,9,12-15,18,21-24,30-31,36-37,42-61,63-89H2,1-3H3,(H,94,95)(H,98,99)/p-1/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,34-32-,35-33-,40-38-,41-39-,62-27-/t90-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)CCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
MNX internals
InChI (mnx)InChI=1/C93H162NO9P/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-40-42-44-45-47-48-50-52-54-56-58-60-63-66-69-72-75-78-81-84-92(96)100-88-90(89-102-104(98,99)101-87-86-94-91(95)83-80-77-74-71-68-65-62-27-24-21-18-15-12-9-6-3)103-93(97)85-82-79-76-73-70-67-64-61-59-57-55-53-51-49-46-43-41-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-29,32-35,38-41,62,90H,4-6,9,12-15,18,21-24,30-31,36-37,42-61,63-89H2,1-3H3,(H,94,95)(H,98,99)/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,34-32-,35-33-,40-38-,41-39-,62-27-/t90-/m1/s1 Image of MNXM939138
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:32]=[CH:34]\[CH2:36]/[CH:38]=[CH:40]\[CH2:42][CH2:44][CH2:45][CH2:47][CH2:48][CH2:50][CH2:52][CH2:54][CH2:56][CH2:58][CH2:60][CH2:63][CH2:66][CH2:69][CH2:72][CH2:75][CH2:78][CH2:81][CH2:84][C:92](=[O:96])[O:100][CH2:88][C@H:90]([CH2:89][O:102][P:104]([OH:98])(=[O:99])[O:101][CH2:87][CH2:86][N:94]=[C:91]([CH2:83][CH2:80][CH2:77][CH2:74][CH2:71][CH2:68][CH2:65]/[CH:62]=[CH:27]\[CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[OH:95])[O:103][C:93]([CH2:85][CH2:82][CH2:79][CH2:76][CH2:73][CH2:70][CH2:67][CH2:64][CH2:61][CH2:59][CH2:57][CH2:55][CH2:53][CH2:51][CH2:49][CH2:46][CH2:43]/[CH:41]=[CH:39]\[CH2:37]/[CH:35]=[CH:33]\[CH2:31]/[CH:29]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14]/[CH:11]=[CH:8]\[CH2:5][CH3:2])=[O:97]
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:000631523
slm:000631523
WDRWVKXREAGQDF-NWCDCYOVSA-M
1-(21Z,24Z,27Z,30Z,33Z-hexatriacontapentaenoyl)-2-(19Z,22Z,25Z,28Z,31Z-tetratriacontapentaenoyl)-sn-glycero-3-phospho-N-(9Z-octadecenoyl)-ethanolamine
N-(9Z-octadecenoyl)-1-(21Z,24Z,27Z,30Z,33Z-hexatriacontapentaenoyl)-2-(19Z,22Z,25Z,28Z,31Z-tetratriacontapentaenoyl)-sn-glycero-3-phosphoethanolamine
NAPE (36:5(21Z,24Z,27Z,30Z,33Z)/34:5(19Z,22Z,25Z,28Z,31Z)/18:1(9Z))