U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C33H38N4O6
Molecular Weight 586.678
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 3
Charge 0

SHOW SMILES / InChI
Structure of PHYCOERYTHROBILIN

SMILES

C\C=C1[C@@H](C)C(=O)NC\1=C\C2=C(C)C(CCC(O)=O)=C(N2)\C=C3/N=C(C[C@H]4NC(=O)C(C=C)=C4C)C(C)=C3CCC(O)=O

InChI

InChIKey=IGJXAXFFKKRFKU-NDGVYKEISA-N
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/h7-8,14-15,19,26,35H,2,9-13H2,1,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b20-7+,27-14-,28-15-/t19-,26-/m1/s1

HIDE SMILES / InChI

Molecular Formula C33H38N4O6
Molecular Weight 586.678
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 3
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 12:02:19 GMT 2025
Edited
by admin
on Wed Apr 02 12:02:19 GMT 2025
Record UNII
G4JN6A95WG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PHYCOERYTHROBILIN
Common Name English
3(E)-PHYCOERYTHROBILIN
Preferred Name English
21H-BILINE-8,12-DIPROPANOIC ACID, 18-ETHENYL-3-ETHYLIDENE-1,2,3,15,16,19,22,24-OCTAHYDRO-2,7,13,17-TETRAMETHYL-1,19-DIOXO-, (2R,3E,16R)-
Systematic Name English
(2R,3E,16R)-18-ETHENYL-3-ETHYLIDENE-1,2,3,15,16,19,22,24-OCTAHYDRO-2,7,13,17-TETRAMETHYL-1,19-DIOXO-21H-BILINE-8,12-DIPROPANOIC ACID
Systematic Name English
BILINE-8,12-DIPROPIONIC ACID, 3-ETHYLIDENE-1,2,3,15,16,19,22,24-OCTAHYDRO-2,7,13,17-TETRAMETHYL-1,19-DIOXO-18-VINYL-
Systematic Name English
Code System Code Type Description
FDA UNII
G4JN6A95WG
Created by admin on Wed Apr 02 12:02:19 GMT 2025 , Edited by admin on Wed Apr 02 12:02:19 GMT 2025
PRIMARY
EPA CompTox
DTXSID301316540
Created by admin on Wed Apr 02 12:02:19 GMT 2025 , Edited by admin on Wed Apr 02 12:02:19 GMT 2025
PRIMARY
PUBCHEM
6443764
Created by admin on Wed Apr 02 12:02:19 GMT 2025 , Edited by admin on Wed Apr 02 12:02:19 GMT 2025
PRIMARY
CAS
18097-67-1
Created by admin on Wed Apr 02 12:02:19 GMT 2025 , Edited by admin on Wed Apr 02 12:02:19 GMT 2025
PRIMARY
WIKIPEDIA
Phycoerythrobilin
Created by admin on Wed Apr 02 12:02:19 GMT 2025 , Edited by admin on Wed Apr 02 12:02:19 GMT 2025
PRIMARY
CHEBI
85659
Created by admin on Wed Apr 02 12:02:19 GMT 2025 , Edited by admin on Wed Apr 02 12:02:19 GMT 2025
PRIMARY