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(3Z)-phycoerythrobilin

MNXM31155 is deprecated and here replaced by MNXM733862
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM733862 Image of MNXM733862
referencechebi:15618
formulaC33H38N4O6
global charge0
mol weight586.689
InChIKeyCNEWLWMGPFUJPG-RJSGNYMKSA-N
InChIInChI=1S/C33H38N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,14-15,19,26,34H,2,9-13H2,1,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b20-7-,27-14-,29-15-/t19-,26-/m1/s1
SMILESC=CC1=C(C)[C@@H](CC2=C(C)C(CCC(=O)O)=C(/C=C3\N=C(/C=C4\NC(=O)[C@H](C)\C4=C\C)C(C)=C3CCC(=O)O)N2)NC1=O
MNX internals
InChI (mnx)InChI=1/C33H38N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,14-15,19,26,34H,2,9-13H2,1,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b20-7-,27-14-,29-15-/t19-,26-/m1/s1 Image of MNXM733862
SMILES (mnx)[CH3:1]/[CH:7]=[C:20]1/[C@@H:19]([CH3:6])[C:32]([OH:42])=[N:37]/[C:27]1=[CH:14]\[C:25]1=[N:35]/[C:29](=[CH:15]\[C:28]2=[C:22]([CH2:9][CH2:11][C:30](=[O:38])[OH:39])[C:17]([CH3:4])=[C:24]([CH2:13][C@@H:26]3[C:16]([CH3:3])=[C:21]([CH:8]=[CH2:2])[C:33]([OH:43])=[N:36]3)[NH:34]2)[C:23]([CH2:10][CH2:12][C:31](=[O:40])[OH:41])=[C:18]1[CH3:5]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:15618
chebi:15618
CNEWLWMGPFUJPG-RJSGNYMKSA-N 		(3Z)-phycoerythrobilin
(3Z)-8,12-bis(2-carboxyethyl)-18-ethenyl-3-ethylidene-2,7,13,17-tetramethyl-2,3,15,16-tetrahydrobiline-1,19(21H,24H)-dione
(3Z)-Phycoerythrobilin

chebi:10896
chebi:224 		secondary/obsolete/fantasy identifier