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(S)-3-hydroxy-(6Z,9Z,12Z,15Z,18Z)-tetracosapentaenoyl-CoA

Properties

Image

Occurences in reactions

MNX_ID

MNXM6525

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

formula

C₄₅H₆₈N₇O₁₈P₃S

charge

-4

mass

1119.35763

reference

chebi:76366

InChIKey

NNEPPYNERZEJEE-VUGYPBMHSA-J

InChI

InChI=1S/C45H72N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-33(53)28-36(55)74-27-26-47-35(54)24-25-48-43(58)40(57)45(2,3)30-67-73(64,65)70-72(62,63)66-29-34-39(69-71(59,60)61)38(56)44(68-34)52-32-51-37-41(46)49-31-50-42(37)52/h8-9,11-12,14-15,17-18,20-21,31-34,38-40,44,53,56-57H,4-7,10,13,16,19,22-30H2,1-3H3,(H,47,54)(H,48,58)(H,62,63)(H,64,65)(H2,46,49,50)(H2,59,60,61)/p-4/b9-8-,12-11-,15-14-,18-17-,21-20-/t33-,34+,38+,39+,40-,44+/m0/s1

SMILES

CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC[C@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:76366 chebi:76366	(S)-3-hydroxy-(6Z,9Z,12Z,15Z,18Z)-tetracosapentaenoyl-CoA (3S,6Z,9Z,12Z,15Z,18Z)-3-hydroxytetracosapentaenoyl-CoA(4-) (3S,6Z,9Z,12Z,15Z,18Z)-3-hydroxytetracosapentaenoyl-coenzyme A(4-) (S)-3-OH-C24:5(n-6)-CoA(4-) (S)-3-hydroxy-(6Z,9Z,12Z,15Z,18Z)-tetracosapentaenoyl-CoA(4-) (S)-3-hydroxy-(6Z,9Z,12Z,15Z,18Z)-tetracosapentaenoyl-coenzyme A(4-)
seed.compound:cpd31627 seedM:cpd31627	(3S,6Z,9Z,12Z,15Z,18Z)-3-hydroxytetracosa-6,9,12,15,18-pentaenoyl-CoA (3S,6Z,9Z,12Z,15Z,18Z)-3-hydroxytetracosapentaenoyl-CoA
metacyc.compound:CPD-18493 metacycM:CPD-18493	(3S,6Z,9Z,12Z,15Z,18Z)-3-hydroxytetracosapentaenoyl-CoA (3S,6Z,9Z,12Z,15Z,18Z)-3-hydroxytetracosa-6,9,12,15,18-pentaenoyl-CoA
CHEBI:76448 chebi:76448	(3S,6Z,9Z,12Z,15Z,18Z)-3-hydroxytetracosapentaenoyl-CoA (3S,6Z,9Z,12Z,15Z,18Z)-3-hydroxytetracosapentaenoyl-coenzyme A
seedM:M_cpd31627	secondary/obsolete/fantasy identifier