Search MNXref
 Feedback

1-(19Z,22Z,25Z,28Z,31Z-tetratriacontapentaenoyl)-2-(13Z-docosenoyl)-sn-glycero-3-phospho-N-(6Z,9Z,12Z-octadecatrienoyl)-ethanolamine

PropertiesImage
MNX_IDMNXM938505 Image of MNXM938505
referenceslm:000630890
formulaC79H137NO9P
global charge-1
mol weight1275.937
InChIKeyVZDHSMBNCOMOQP-VOQOXZINSA-M
InChIInChI=1S/C79H138NO9P/c1-4-7-10-13-16-19-22-25-28-30-32-33-34-35-36-37-38-39-40-41-42-43-45-46-49-52-55-58-61-64-67-70-78(82)86-74-76(89-79(83)71-68-65-62-59-56-53-50-47-44-31-29-26-23-20-17-14-11-8-5-2)75-88-90(84,85)87-73-72-80-77(81)69-66-63-60-57-54-51-48-27-24-21-18-15-12-9-6-3/h7,10,16,18-19,21,25-29,32-33,35-36,48,54,57,76H,4-6,8-9,11-15,17,20,22-24,30-31,34,37-47,49-53,55-56,58-75H2,1-3H3,(H,80,81)(H,84,85)/p-1/b10-7-,19-16-,21-18-,28-25-,29-26-,33-32-,36-35-,48-27-,57-54-/t76-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CCCCCCCCCCC/C=C\CCCCCCCC
MNX internals
InChI (mnx)InChI=1/C79H138NO9P/c1-4-7-10-13-16-19-22-25-28-30-32-33-34-35-36-37-38-39-40-41-42-43-45-46-49-52-55-58-61-64-67-70-78(82)86-74-76(89-79(83)71-68-65-62-59-56-53-50-47-44-31-29-26-23-20-17-14-11-8-5-2)75-88-90(84,85)87-73-72-80-77(81)69-66-63-60-57-54-51-48-27-24-21-18-15-12-9-6-3/h7,10,16,18-19,21,25-29,32-33,35-36,48,54,57,76H,4-6,8-9,11-15,17,20,22-24,30-31,34,37-47,49-53,55-56,58-75H2,1-3H3,(H,80,81)(H,84,85)/b10-7-,19-16-,21-18-,28-25-,29-26-,33-32-,36-35-,48-27-,57-54-/t76-/m1/s1 Image of MNXM938505
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:33]\[CH2:34]/[CH:35]=[CH:36]\[CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:45][CH2:46][CH2:49][CH2:52][CH2:55][CH2:58][CH2:61][CH2:64][CH2:67][CH2:70][C:78](=[O:82])[O:86][CH2:74][C@H:76]([CH2:75][O:88][P:90]([OH:84])(=[O:85])[O:87][CH2:73][CH2:72][N:80]=[C:77]([CH2:69][CH2:66][CH2:63][CH2:60]/[CH:57]=[CH:54]\[CH2:51]/[CH:48]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[OH:81])[O:89][C:79]([CH2:71][CH2:68][CH2:65][CH2:62][CH2:59][CH2:56][CH2:53][CH2:50][CH2:47][CH2:44][CH2:31]/[CH:29]=[CH:26]\[CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:83]
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:000630890
slm:000630890
VZDHSMBNCOMOQP-VOQOXZINSA-M 		1-(19Z,22Z,25Z,28Z,31Z-tetratriacontapentaenoyl)-2-(13Z-docosenoyl)-sn-glycero-3-phospho-N-(6Z,9Z,12Z-octadecatrienoyl)-ethanolamine
N-(6Z,9Z,12Z-octadecatrienoyl)-1-(19Z,22Z,25Z,28Z,31Z-tetratriacontapentaenoyl)-2-(13Z-docosenoyl)-sn-glycero-3-phosphoethanolamine
NAPE (34:5(19Z,22Z,25Z,28Z,31Z)/22:1(13Z)/18:3(6Z,9Z,12Z))