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red chlorophyll catabolite

MNXM4804 is deprecated and here replaced by MNXM736915
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM736915 Image of MNXM736915
referencechebi:47899
formulaC35H38N4O7
global charge0
mol weight626.71
InChIKeyZDEZVOKVUGXDCZ-FATBKOMMSA-N
InChIInChI=1S/C35H38N4O7/c1-8-19-15(3)26(14-40)36-25(19)13-24-18(6)28-32(38-24)29(30(33(28)43)35(45)46-7)31-21(10-11-27(41)42)17(5)22(37-31)12-23-16(4)20(9-2)34(44)39-23/h9,12,14,17,21,30,36,38H,2,8,10-11,13H2,1,3-7H3,(H,39,44)(H,41,42)/b23-12-,31-29-/t17-,21-,30+/m0/s1
SMILESC=CC1=C(C)/C(=C/C2=N/C(=C3\C4=C(C(=O)[C@@H]3C(=O)OC)C(C)=C(CC3=C(CC)C(C)=C(C=O)N3)N4)[C@@H](CCC(=O)O)[C@@H]2C)NC1=O
MNX internals
InChI (mnx)InChI=1/C35H38N4O7/c1-8-19-15(3)26(14-40)36-25(19)13-24-18(6)28-32(38-24)29(30(33(28)43)35(45)46-7)31-21(10-11-27(41)42)17(5)22(37-31)12-23-16(4)20(9-2)34(44)39-23/h9,12,14,17,21,30,36,38H,2,8,10-11,13H2,1,3-7H3,(H,39,44)(H,41,42)/b23-12-,31-29-/t17-,21-,30+/m0/s1 Image of MNXM736915
SMILES (mnx)[CH3:1][CH2:8][C:19]1=[C:25]([CH2:13][C:24]2=[C:18]([CH3:6])[C:28]3=[C:32](/[C:29](=[C:31]4/[C@@H:21]([CH2:10][CH2:11][C:27](=[O:41])[OH:42])[C@H:17]([CH3:5])[C:22](/[CH:12]=[C:23]5/[C:16]([CH3:4])=[C:20]([CH:9]=[CH2:2])[C:34]([OH:44])=[N:39]5)=[N:37]4)[C@@H:30]([C:35](=[O:45])[O:46][CH3:7])[C:33]3=[O:43])[NH:38]2)[NH:36][C:26]([CH:14]=[O:40])=[C:15]1[CH3:3]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:47899
chebi:47899
ZDEZVOKVUGXDCZ-FATBKOMMSA-N 		red chlorophyll catabolite
(7S,8S,10(1)R)-8-(2-carboxyethyl)-17-ethyl-19-formyl-10(1)-(methoxycarbonyl)-3,7,13,18-tetramethyl-2-vinyl-8,23-dihydro-7H-10,12-ethanobiladiene-ab-1,10(2)(21H)-dione
3-{(2Z,3S,4S)-5-[(Z)-(4-ethenyl-3-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-2-[(5R)-2-[(3-ethyl-5-formyl-4-methyl-1H-pyrrol-2-yl)methyl]-5-methoxycarbonyl-3-methyl-4-oxo-4,5-dihydrocyclopenta[b]pyrrol-6(1H)-ylidene]-4-methyl-3,4-dihydro-2H-pyrrol-3-yl}propanoic acid
RCC

sabiork.compound:31815
sabiorkM:31815
kegg.compound:C18022
keggC:C18022
ZDEZVOKVUGXDCZ-FATBKOMMSA-N 		Red chlorophyll catabolite

keggC:M_C18022 		secondary/obsolete/fantasy identifier