primary fluorescent chlorophyll catabolite(2-) (Q27125988)

3-{(2Z,3S,4S)-2-{2-[(3-Ethyl-5-formyl-4-methyl-1H-pyrrol-2-yl)methyl]-5-(methoxycarbonyl)-3-methyl-4-oxo-4,5-dihydrocyclopenta[b]pyrrol-5-id-6(1H)-ylidene}-4-methyl-5-[(3-methyl-5-oxo-4-vinyl-2,5-dihy (English)

retrieved

6 October 2016

chemical formula

C₃₅H₃₈N₄O₇²⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CCC=1C(C)=C(C=O)NC1CC2=C(C)C3=C(C([C-](C3=O)C(=O)OC)=C4C(CCC(=O)[O-])(C(C)(C(CC5(C(C)=C(C=C)C(=N5)O)[H])=N4)[H])[H])N2

1 reference

language of work or name

English

title

primary fluorescent chlorophyll catabolite(2-) (English)

retrieved

6 October 2016

isomeric SMILES

CCC=1C(C)=C(C=O)NC1CC2=C(C)C3=C(\C(\[C-](C3=O)C(=O)OC)=C/4\[C@@](CCC(=O)[O-])([C@](C)(C(CC5(C(C)=C(C=C)C(=N5)O)[H])=N4)[H])[H])N2

1 reference

language of work or name

English

title

primary fluorescent chlorophyll catabolite(2-) (English)

retrieved

6 October 2016

Identifiers

InChI

InChI=1S/C35H39N4O7/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/h9,14,17,21,23,36,38H,2,8,10-13H2,1,3-7H3,(H,39,44)(H,41,42)/q-1/p-1/b31-29-/t17-,21-,23?/m0/s1

1 reference

language of work or name

English

title

primary fluorescent chlorophyll catabolite(2-) (English)

retrieved

6 October 2016

InChIKey

VHQSFNUIHPNTMW-LRYVNUGJSA-M

2 references

language of work or name

English

title

primary fluorescent chlorophyll catabolite(2-) (English)

retrieved

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

language of work or name

English

title

3-{(2Z,3S,4S)-2-{2-[(3-Ethyl-5-formyl-4-methyl-1H-pyrrol-2-yl)methyl]-5-(methoxycarbonyl)-3-methyl-4-oxo-4,5-dihydrocyclopenta[b]pyrrol-5-id-6(1H)-ylidene}-4-methyl-5-[(3-methyl-5-oxo-4-vinyl-2,5-dihy (English)

retrieved

6 October 2016

ChEBI ID

58719

mapping relation type

1 reference

language of work or name