(3E)-phycocyanobilin (Q27120880)

3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-[(3E,4R)-3-ethylidene-4-methyl-5-oxo-pyrrolidin-2-ylidene]methyl]-4-methyl-pyrrol-2-ylidene]methyl]-5-[(Z)-(4-ethyl-3-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methy (English)

retrieved

6 October 2016

stereoisomer of

(2R,3Z)-phycocyanobilin

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₃H₃₈N₄O₆

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC(=C1C(C)(C(=NC1=C(C=2C(C)=C(CCC(=O)O)C(=C(C3=C(CCC(=O)O)C(C)=C(C(=C4C(C)=C(CC)C(=N4)O)[H])N3)[H])N2)[H])O)[H])[H]

1 reference

language of work or name

English

title

(3E)-phycocyanobilin (English)

retrieved

6 October 2016

isomeric SMILES

C\C(=C\1/[C@@](C)(C(=N/C1=C(\C=2C(C)=C(CCC(=O)O)/C(=C(/C3=C(CCC(=O)O)C(C)=C(\C(=C/4\C(C)=C(CC)C(=N4)O)\[H])N3)\[H])/N2)/[H])O)[H])\[H]

1 reference

language of work or name

English

title

(3E)-phycocyanobilin (English)

retrieved

6 October 2016

Identifiers

InChI

InChI=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/h7,13-15,19,34H,8-12H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b20-7+,26-13-,27-14-,29-15-/t19-/m1/s1

1 reference

language of work or name

English

title

(3E)-phycocyanobilin (English)

retrieved

6 October 2016

InChIKey

XAVVMXGLKJSJDU-GQEYZBMCSA-N

2 references

language of work or name

English

title

(3E)-phycocyanobilin (English)

retrieved

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

language of work or name

English

title

(3E)-phycocyanobilin (English)

6 October 2016

1 reference

language of work or name

English

title

3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-[(3E,4R)-3-ethylidene-4-methyl-5-oxo-pyrrolidin-2-ylidene]methyl]-4-methyl-pyrrol-2-ylidene]methyl]-5-[(Z)-(4-ethyl-3-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methy (English)

retrieved

6 October 2016

ChEBI ID

47957

mapping relation type

2 references

language of work or name