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Leukotriene C5

PropertiesImage
MNX_IDMNXM1103674 Image of MNXM1103674
referencechebi:172777
formulaC30H45N3O9S
global charge0
mol weight623.769
InChIKeyOSBTVMNXIHRFGN-KERZFGRDSA-N
InChIInChI=1S/C30H45N3O9S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-25(24(34)15-14-17-27(36)37)43-21-23(29(40)32-20-28(38)39)33-26(35)19-18-22(31)30(41)42/h3-4,6-7,9-13,16,22-25,34H,2,5,8,14-15,17-21,31H2,1H3,(H,32,40)(H,33,35)(H,36,37)(H,38,39)(H,41,42)/b4-3-,7-6-,10-9-,12-11+,16-13+/t22-,23+,24+,25-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@H](NC(=O)CC[C@@H](N)C(=O)O)C(=O)NCC(=O)O)[C@@H](O)CCCC(=O)O
MNX internals
InChI (mnx)InChI=1/C30H45N3O9S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-25(24(34)15-14-17-27(36)37)43-21-23(29(40)32-20-28(38)39)33-26(35)19-18-22(31)30(41)42/h3-4,6-7,9-13,16,22-25,34H,2,5,8,14-15,17-21,31H2,1H3,(H,32,40)(H,33,35)(H,36,37)(H,38,39)(H,41,42)/b4-3-,7-6-,10-9-,12-11+,16-13+/t22-,23+,24+,25-/m1/s1 Image of MNXM1103674
SMILES (mnx)[CH3:1][CH2:2]/[CH:3]=[CH:4]\[CH2:5]/[CH:6]=[CH:7]\[CH2:8]/[CH:9]=[CH:10]\[CH:11]=[CH:12]\[CH:13]=[CH:16]\[C@H:25]([C@H:24]([CH2:15][CH2:14][CH2:17][C:27](=[O:36])[OH:37])[OH:34])[S:43][CH2:21][C@@H:23]([C:29](=[N:32][CH2:20][C:28](=[O:38])[OH:39])[OH:40])[N:33]=[C:26]([CH2:19][CH2:18][C@H:22]([C:30](=[O:41])[OH:42])[NH2:31])[OH:35]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:172777
chebi:172777
OSBTVMNXIHRFGN-KERZFGRDSA-N 		Leukotriene C5
(5S,6R,7E,9E,11Z,14Z,17Z)-6-[(2R)-2-[[(4R)-4-amino-4-carboxybutanoyl]amino]-3-(carboxymethylamino)-3-oxopropyl]sulanyl-5-hydroxyicosa-7,9,11,14,17-pentaenoic acid

bigg.metabolite:CE7086
biggM:CE7086
OSBTVMNXIHRFGN-KERZFGRDSA-L 		Leukotriene C5
hmdb:HMDB0012993
OSBTVMNXIHRFGN-KERZFGRDSA-N 		Leukotriene C5
(5S,6R,7E,9E,11Z,14Z,17Z)-6-{[(2R)-2-[(4R)-4-amino-4-carboxybutanamido]-2-(carboxymethylcarbamoyl)ethyl]sulfanyl}-5-hydroxyicosa-7,9,11,14,17-pentaenoic acid
(5S,6R,7E,9E,11Z,14Z,17Z)-6-{[(2R)-2-[(4R)-4-amino-4-carboxybutanamido]-2-[(carboxymethyl)carbamoyl]ethyl]sulfanyl}-5-hydroxyicosa-7,9,11,14,17-pentaenoic acid
(5S,6R,7E,9E,11Z,14Z,17Z)-6-{[(2R)-2-{[(4R)-4-amino-4-carboxy-1-hydroxybutylidene]amino}-2-[(carboxymethyl)-C-hydroxycarbonimidoyl]ethyl]sulfanyl}-5-hydroxyicosa-7,9,11,14,17-pentaenoate
(5S,6R,7E,9E,11Z,14Z,17Z)-6-{[(2R)-2-{[(4R)-4-amino-4-carboxy-1-hydroxybutylidene]amino}-2-[(carboxymethyl)-C-hydroxycarbonimidoyl]ethyl]sulphanyl}-5-hydroxyicosa-7,9,11,14,17-pentaenoate
(5S,6R,7E,9E,11Z,14Z,17Z)-6-{[(2R)-2-{[(4R)-4-amino-4-carboxy-1-hydroxybutylidene]amino}-2-[(carboxymethyl)-C-hydroxycarbonimidoyl]ethyl]sulphanyl}-5-hydroxyicosa-7,9,11,14,17-pentaenoic acid
5-Hydroxy-6-S-glutathionyl-7,9,11,14,17-eicosapentaenoic acid
LTC(,5)
Leukotriene C-5

vmhM:CE7086
vmhmetabolite:CE7086
OSBTVMNXIHRFGN-KERZFGRDSA-L 		leukotriene C5

hmdb:HMDB12993
biggM:M_CE7086
vmhM:M_CE7086 		secondary/obsolete/fantasy identifier