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primary fluorescent chlorophyll catabolite(2-)

MNXM4787 is deprecated and here replaced by MNXM1108264
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1108264 Image of MNXM1108264
referencechebi:58719
formulaC35H38N4O7
global charge-2
mol weight626.71
InChIKeyDNXSLNKKIZWDMR-LRYVNUGJSA-L
InChIInChI=1S/C35H40N4O7/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/h9,14,17,21,23,36,38,43H,2,8,10-13H2,1,3-7H3,(H,39,44)(H,41,42)/p-2/b31-29-/t17-,21-,23?/m0/s1
SMILESC=CC1=C(C)C(CC2=N/C(=C3\C4=C(C(C)=C(CC5=C(CC)C(C)=C(C=O)N5)N4)C([O-])=C3C(=O)OC)[C@@H](CCC(=O)[O-])[C@@H]2C)NC1=O
MNX internals
InChI (mnx)InChI=1/C35H40N4O7/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/h9,14,17,21,23,36,38,43H,2,8,10-13H2,1,3-7H3,(H,39,44)(H,41,42)/b31-29-/t17-,21-,23?/m0/s1 Image of MNXM1108264
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]([CH2:12][CH:23]5[C:16]([CH3:4])=[C:20]([CH:9]=[CH2:2])[C:34]([OH:44])=[N:39]5)=[N:37]4)[C:30]([C:35](=[O:45])[O:46][CH3:7])=[C:33]3[OH: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)4
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:58719
chebi:58719
DNXSLNKKIZWDMR-LRYVNUGJSA-L 		primary fluorescent chlorophyll catabolite(2-)
3-[(2Z,3S,4S)-5-[(4-ethenyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)methyl]-2-{2-[(3-ethyl-5-formyl-4-methyl-1H-pyrrol-2-yl)methyl]-5-(methoxycarbonyl)-3-methyl-4-oxidocyclopenta[b]pyrrol-6(1H)-ylidene}-4-methyl-3,4-dihydro-2H-pyrrol-3-yl]propanoate

seed.compound:cpd19368
seedM:cpd19368
DNXSLNKKIZWDMR-LRYVNUGJSA-M 		Primary fluorescent chlorophyll catabolite
(82R,12S,13S)-12-(2-carboxyethyl)-3-ethyl-1-formyl-82-(methoxycarbonyl)-2,7,13,17-tetramethyl-18-vinyl-12,13-dihydro-8,10-ethanobilene-b-81,19(16H)-dione
pFCC
primary fluorescent chlorophyll catabolite

seedM:M_cpd19368 		secondary/obsolete/fantasy identifier