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(2E,19Z,22Z,25Z,28Z)-tetratriacontapentaenoyl-CoA

PropertiesImage
MNX_IDMNXM145980 Image of MNXM145980
referencechebi:76436
formulaC55H88N7O17P3S
global charge-4
mol weight1244.33
InChIKeyXBHYONKUMYHCHT-QWCIKKMASA-J
InChIInChI=1S/C55H92N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-46(64)83-39-38-57-45(63)36-37-58-53(67)50(66)55(2,3)41-76-82(73,74)79-81(71,72)75-40-44-49(78-80(68,69)70)48(65)54(77-44)62-43-61-47-51(56)59-42-60-52(47)62/h8-9,11-12,14-15,17-18,34-35,42-44,48-50,54,65-66H,4-7,10,13,16,19-33,36-41H2,1-3H3,(H,57,63)(H,58,67)(H,71,72)(H,73,74)(H2,56,59,60)(H2,68,69,70)/p-4/b9-8-,12-11-,15-14-,18-17-,35-34+/t44-,48-,49-,50+,54-/m1/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCC/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-]
MNX internals
InChI (mnx)InChI=1/C55H92N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-46(64)83-39-38-57-45(63)36-37-58-53(67)50(66)55(2,3)41-76-82(73,74)79-81(71,72)75-40-44-49(78-80(68,69)70)48(65)54(77-44)62-43-61-47-51(56)59-42-60-52(47)62/h8-9,11-12,14-15,17-18,34-35,42-44,48-50,54,65-66H,4-7,10,13,16,19-33,36-41H2,1-3H3,(H,57,63)(H,58,67)(H,71,72)(H,73,74)(H2,56,59,60)(H2,68,69,70)/b9-8-,12-11-,15-14-,18-17-,35-34+/t44-,48-,49-,50+,54-/m1/s1 Image of MNXM145980
SMILES (mnx)[CH3:1][CH2:4][CH2:5][CH2:6][CH2:7]/[CH:8]=[CH:9]\[CH2:10]/[CH:11]=[CH:12]\[CH2:13]/[CH:14]=[CH:15]\[CH2:16]/[CH:17]=[CH:18]\[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33]/[CH:34]=[CH:35]/[C:46](=[O:64])[S:83][CH2:39][CH2:38][N:57]=[C:45]([CH2:36][CH2:37][N:58]=[C:53]([C@@H:50]([C:55]([CH3:2])([CH3:3])[CH2:41][O:76][P:82]([OH:73])(=[O:74])[O:79][P:81]([OH:71])(=[O:72])[O:75][CH2:40][C@@H:44]1[C@@H:49]([O:78][P:80]([OH:68])([OH:69])=[O:70])[C@@H:48]([OH:65])[C@H:54]([N:62]2[CH:43]=[N:61][C:47]3=[C:51]([NH2:56])[N:59]=[CH:42][N:60]=[C:52]32)[O:77]1)[OH:66])[OH:67])[OH:63]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:76436
chebi:76436
XBHYONKUMYHCHT-QWCIKKMASA-J 		(2E,19Z,22Z,25Z,28Z)-tetratriacontapentaenoyl-CoA
(2E,19Z,22Z,25Z,28Z)-tetratriacontapentaenoyl-CoA(4-)
(2E,19Z,22Z,25Z,28Z)-tetratriacontapentaenoyl-coenzyme A(4-)
2trans,19cis,22cis,25cis,28cis-tetratriacontapentaenoyl-CoA(4-)
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(2E,19Z,22Z,25Z,28Z)-tetratriaconta-2,19,22,25,28-pentaenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] diphosphate}

SLM:000389626
slm:000389626
XBHYONKUMYHCHT-QWCIKKMASA-J 		(2E,19Z,22Z,25Z,28Z)-tetratriacontapentaenoyl-CoA

CHEBI:76569
chebi:76569
XBHYONKUMYHCHT-QWCIKKMASA-N 		(2E,19Z,22Z,25Z,28Z)-tetratriacontapentaenoyl-CoA
(2E,19Z,22Z,25Z,28Z)-tetratriacontapentaenoyl-coenzyme A
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(2E,19Z,22Z,25Z,28Z)-tetratriaconta-2,19,22,25,28-pentaenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}