Search MNXref
 Feedback

CL(20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/16:0/18:2(9Z,11Z))

PropertiesImage
MNX_IDMNXM1111961 Image of MNXM1111961
referencehmdb:HMDB0111953
formulaC81H142O17P2
global charge0
mol weight1449.958
InChIKeySPOSAIFVDWAGTR-XBFYYLCASA-N
InChIInChI=1S/C81H142O17P2/c1-5-9-13-17-21-25-29-33-36-37-40-42-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(71-91-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)97-80(85)67-63-59-55-51-47-43-38-34-30-26-22-18-14-10-6-2/h21,23,25-27,30,33-36,38-40,42,50,54,75-77,82H,5-20,22,24,28-29,31-32,37,41,43-49,51-53,55-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,27-23-,30-26-,36-33-,38-34-,39-35-,42-40-,54-50-/t75-,76-,77-/m1/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](O)COP(=O)(O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC/C=C\C=C/CCCCCC)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC
MNX internals
InChI (mnx)InChI=1/C81H142O17P2/c1-5-9-13-17-21-25-29-33-36-37-40-42-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(71-91-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)97-80(85)67-63-59-55-51-47-43-38-34-30-26-22-18-14-10-6-2/h21,23,25-27,30,33-36,38-40,42,50,54,75-77,82H,5-20,22,24,28-29,31-32,37,41,43-49,51-53,55-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,27-23-,30-26-,36-33-,38-34-,39-35-,42-40-,54-50-/t75-,76-,77-/m1/s1 Image of MNXM1111961
SMILES (mnx)[CH3:1][CH2:5][CH2:9][CH2:13][CH2:17]/[CH:21]=[CH:25]\[CH2:29]/[CH:33]=[CH:36]\[CH2:37]/[CH:40]=[CH:42]\[CH2:46]/[CH:50]=[CH:54]\[CH2:58][CH2:62][CH2:66][C:79](=[O:84])[O:92][CH2:72][C@H:77]([CH2:74][O:96][P:100]([OH:89])(=[O:90])[O:94][CH2:70][C@@H:75]([CH2:69][O:93][P:99]([OH:87])(=[O:88])[O:95][CH2:73][C@@H:76]([CH2:71][O:91][C:78]([CH2:65][CH2:61][CH2:57][CH2:53][CH2:49][CH2:45][CH2:41][CH2:32][CH2:28][CH2:24][CH2:20][CH2:16][CH2:12][CH2:8][CH3:4])=[O:83])[O:97][C:80]([CH2:67][CH2:63][CH2:59][CH2:55][CH2:51][CH2:47][CH2:43]/[CH:38]=[CH:34]\[CH:30]=[CH:26]/[CH2:22][CH2:18][CH2:14][CH2:10][CH2:6][CH3:2])=[O:85])[OH:82])[O:98][C:81]([CH2:68][CH2:64][CH2:60][CH2:56][CH2:52][CH2:48][CH2:44]/[CH:39]=[CH:35]\[CH2:31]/[CH:27]=[CH:23]\[CH2:19][CH2:15][CH2:11][CH2:7][CH3:3])=[O:86]
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
hmdb:HMDB0111953
SPOSAIFVDWAGTR-XBFYYLCASA-N 		CL(20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/16:0/18:2(9Z,11Z))
(2R)-3-{[(2R)-3-(hexadecanoyloxy)-2-[(9Z,11Z)-octadeca-9,11-dienoyloxy]propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxy((2R)-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy)phosphinic acid
[(2R)-3-({[(2R)-3-(hexadecanoyloxy)-2-[(9Z,11Z)-octadeca-9,11-dienoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy][(2R)-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy]phosphinate
[(2R)-3-({[(2R)-3-(hexadecanoyloxy)-2-[(9Z,11Z)-octadeca-9,11-dienoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy][(2R)-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy]phosphinic acid