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 1 / 1
E/Z Centers 4
Charge 0

SHOW SMILES / InChI
Structure of PHYCOCYANOBILIN

SMILES

CCC1=C(C)\C(NC1=O)=C\C2=N\C(=C/C3=C(CCC(O)=O)C(C)=C(N3)\C=C4NC(=O)[C@H](C)C\4=C\C)C(CCC(O)=O)=C2C

InChI

InChIKey=INPDFIMLLXXDOQ-UAWLBFNISA-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/h7,13-15,19,35H,8-12H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b20-7+,26-13-,27-14-,28-15-/t19-/m1/s1

HIDE SMILES / InChI

Molecular Formula C33H38N4O6
Molecular Weight 586.678
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 4
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:06:23 GMT 2023
Edited
by admin
on Sat Dec 16 10:06:23 GMT 2023
Record UNII
36NUT04V2K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PHYCOCYANOBILIN
Common Name English
3(E)-PHYCOCYANOBILIN
Common Name English
BILINE-8,12-DIPROPIONIC ACID, 18-ETHYL-3-ETHYLIDENE-1,2,3,19,22,24-HEXAHYDRO-2,7,13,17-TETRAMETHYL-1,19-DIOXO-
Systematic Name English
PHYCOBILIN
Common Name English
21H-BILINE-8,12-DIPROPANOIC ACID, 18-ETHYL-3-ETHYLIDENE-1,2,3,19,22,24-HEXAHYDRO-2,7,13,17-TETRAMETHYL-1,19-DIOXO-, (2R,3E)-
Systematic Name English
Code System Code Type Description
FDA UNII
36NUT04V2K
Created by admin on Sat Dec 16 10:06:23 GMT 2023 , Edited by admin on Sat Dec 16 10:06:23 GMT 2023
PRIMARY
WIKIPEDIA
Phycocyanobilin
Created by admin on Sat Dec 16 10:06:23 GMT 2023 , Edited by admin on Sat Dec 16 10:06:23 GMT 2023
PRIMARY
CHEBI
48863
Created by admin on Sat Dec 16 10:06:23 GMT 2023 , Edited by admin on Sat Dec 16 10:06:23 GMT 2023
PRIMARY
SMS_ID
300000044989
Created by admin on Sat Dec 16 10:06:23 GMT 2023 , Edited by admin on Sat Dec 16 10:06:23 GMT 2023
PRIMARY
CAS
20298-86-6
Created by admin on Sat Dec 16 10:06:23 GMT 2023 , Edited by admin on Sat Dec 16 10:06:23 GMT 2023
PRIMARY
CAS
20714-57-2
Created by admin on Sat Dec 16 10:06:23 GMT 2023 , Edited by admin on Sat Dec 16 10:06:23 GMT 2023
ALTERNATIVE
EPA CompTox
DTXSID501316958
Created by admin on Sat Dec 16 10:06:23 GMT 2023 , Edited by admin on Sat Dec 16 10:06:23 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT