Feedback

16(S)-hydroxy-18-oxo-18-CoA-LTE4

MNXM33496 is deprecated and here replaced by MNXM734325
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM734325

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

formula

C₄₂H₆₂N₈O₂₃P₃S₂

charge

-5

mass

1203.26095

reference

biggM:CE6226

InChIKey

APLMMNVXTIRDHJ-XZQXUFPTSA-I

InChI

InChI=1S/C42H67N8O23P3S2/c1-42(2,22-70-76(67,68)73-75(65,66)69-20-28-35(72-74(62,63)64)34(57)40(71-28)50-24-49-33-37(44)47-23-48-38(33)50)36(58)39(59)46-16-15-30(53)45-17-18-77-32(56)19-25(51)11-8-6-4-3-5-7-9-13-29(78-21-26(43)41(60)61)27(52)12-10-14-31(54)55/h3-5,7,9,13,23-29,34-36,40,51-52,57-58H,6,8,10-12,14-22,43H2,1-2H3,(H,45,53)(H,46,59)(H,54,55)(H,60,61)(H,65,66)(H,67,68)(H2,44,47,48)(H2,62,63,64)/p-5/b4-3-,7-5+,13-9?/t25-,26+,27-,28+,29+,34-,35-,36?,40+/m0/s1

SMILES

CC(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-])C(O)C(=O)NCCC(=O)NCCSC(=O)C[C@@H](O)CCC/C=C\C=C\C=C[C@@H](SC[C@@H]([NH3+])C(=O)[O-])[C@@H](O)CCCC(=O)[O-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
bigg.metabolite:CE6226 biggM:CE6226	16(S)-hydroxy-18-oxo-18-CoA-LTE4
biggM:M_CE6226	secondary/obsolete/fantasy identifier