Search MNXref
 Feedback

CL(22:5(4Z,7Z,10Z,13Z,16Z)/16:0/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z))

PropertiesImage
MNX_IDMNXM123460 Image of MNXM123460
referencehmdb:HMDB0059187
formulaC85H144O17P2
global charge0
mol weight1500.018
InChIKeyUPGKGDQSQBWHNH-HJRLXBBASA-N
InChIInChI=1S/C85H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-49-53-57-61-65-69-82(87)95-75-80(101-84(89)71-67-63-59-55-51-45-31-27-23-19-15-11-7-3)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(102-85(90)72-68-64-60-56-52-46-32-28-24-20-16-12-8-4)76-96-83(88)70-66-62-58-54-50-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2/h21-22,25-27,31,33-36,39-42,47-50,57-58,61-62,79-81,86H,5-20,23-24,28-30,32,37-38,43-46,51-56,59-60,63-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,26-22-,31-27-,35-33-,36-34-,41-39-,42-40-,49-47-,50-48-,61-57-,62-58-/t79-,80-,81-/m1/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)COP(=O)(O)OC[C@@H](COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCC
MNX internals
InChI (mnx)InChI=1/C85H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-49-53-57-61-65-69-82(87)95-75-80(101-84(89)71-67-63-59-55-51-45-31-27-23-19-15-11-7-3)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(102-85(90)72-68-64-60-56-52-46-32-28-24-20-16-12-8-4)76-96-83(88)70-66-62-58-54-50-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2/h21-22,25-27,31,33-36,39-42,47-50,57-58,61-62,79-81,86H,5-20,23-24,28-30,32,37-38,43-46,51-56,59-60,63-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,26-22-,31-27-,35-33-,36-34-,41-39-,42-40-,49-47-,50-48-,61-57-,62-58-/t79-,80-,81-/m1/s1 Image of MNXM123460
SMILES (mnx)[CH3:1][CH2:5][CH2:9][CH2:13][CH2:17]/[CH:21]=[CH:25]\[CH2:29]/[CH:33]=[CH:35]\[CH2:37]/[CH:39]=[CH:41]\[CH2:43]/[CH:47]=[CH:49]\[CH2:53]/[CH:57]=[CH:61]\[CH2:65][CH2:69][C:82](=[O:87])[O:95][CH2:75][C@H:80]([CH2:77][O:99][P:103]([OH:91])(=[O:92])[O:97][CH2:73][C@H:79]([CH2:74][O:98][P:104]([OH:93])(=[O:94])[O:100][CH2:78][C@@H:81]([CH2:76][O:96][C:83]([CH2:70][CH2:66]/[CH:62]=[CH:58]\[CH2:54]/[CH:50]=[CH:48]\[CH2:44]/[CH:42]=[CH:40]\[CH2:38]/[CH:36]=[CH:34]\[CH2:30]/[CH:26]=[CH:22]\[CH2:18][CH2:14][CH2:10][CH2:6][CH3:2])=[O:88])[O:102][C:85]([CH2:72][CH2:68][CH2:64][CH2:60][CH2:56][CH2:52][CH2:46][CH2:32][CH2:28][CH2:24][CH2:20][CH2:16][CH2:12][CH2:8][CH3:4])=[O:90])[OH:86])[O:101][C:84]([CH2:71][CH2:67][CH2:63][CH2:59][CH2:55][CH2:51][CH2:45]/[CH:31]=[CH:27]\[CH2:23][CH2:19][CH2:15][CH2:11][CH2:7][CH3:3])=[O:89]
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:HMDB0059187
UPGKGDQSQBWHNH-HJRLXBBASA-N 		CL(22:5(4Z,7Z,10Z,13Z,16Z)/16:0/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z))
(2S)-3-{[(2R)-3-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]-2-(hexadecanoyloxy)propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxy((2R)-3-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]-2-[(9Z)-hexadec-9-enoyloxy]propoxy)phosphinic acid
1'-[1-(4Z,7Z,10Z,13Z,16Z-Docosapentaenoyl)-2-hexadecanoyl-sn-glycero-3-phospho],3'-[1,2-di(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-rac-glycero-3-phospho]-glycerol
1'-[1-Osbondoyl-2-palmitoyl-sn-glycero-3-phospho],3'-[1,2-diosbondoyl-rac-glycero-3-phospho]-glycerol
CL(1'-[22:5(4Z,7Z,10Z,13Z,16Z)/16:0],3'-[22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)])
CL(22:5/16:0/22:5/22:5)
CL(82:15)
Cardiolipin(22:5/16:0/22:5/22:5)
Cardiolipin(82:15)
[(2S)-3-({[(2R)-3-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]-2-(hexadecanoyloxy)propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy][(2R)-3-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]-2-[(9Z)-hexadec-9-enoyloxy]propoxy]phosphinic acid

SLM:000589163
slm:000589163
UPGKGDQSQBWHNH-VAICKRMSSA-L 		Cardiolipin (22:5(4Z,7Z,10Z,13Z,16Z)/16:0/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z))
1'-[1-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-2-hexadecanoyl-sn-glycero-3-phospho],3'-[1-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-2-(9Z-hexadecenoyl)-sn-glycero-3-phospho]-glycerol
CL (22:5(4Z,7Z,10Z,13Z,16Z)/16:0/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z))

hmdb:HMDB59187 		secondary/obsolete/fantasy identifier