CID 126456551

Biliverdin delta

Structural Information

Molecular Formula
C33H34N4O6
SMILES
CC1C(=C(NC1=O)/C=C\2/C(=C(/C(=C/C3=N/C(=C\C4=NC(=O)C(=C4CCC(=O)O)C)/C(=C3C)CCC(=O)O)/N2)C=C)C)C=C
InChI
InChI=1S/C33H34N4O6/c1-7-20-16(3)24(14-27-21(8-2)18(5)32(42)36-27)34-26(20)13-25-17(4)22(9-11-30(38)39)28(35-25)15-29-23(10-12-31(40)41)19(6)33(43)37-29/h7-8,13-15,18,34H,1-2,9-12H2,3-6H3,(H,36,42)(H,38,39)(H,40,41)/b24-14-,26-13-,28-15-
InChIKey
VTEIIFODEDFBPN-QMTHZDPJSA-N
Compound name
3-[(2Z)-2-[[3-(2-carboxyethyl)-4-methyl-5-oxopyrrol-2-yl]methylidene]-5-[(Z)-[(5Z)-3-ethenyl-5-[(4-ethenyl-3-methyl-2-oxo-1,3-dihydropyrrol-5-yl)methylidene]-4-methylpyrrol-2-ylidene]methyl]-4-methylpyrrol-3-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

582.24786 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 583.25514 245.8
[M+Na]+ 605.23708 252.4
[M+NH4]+ 600.28168 243.8
[M+K]+ 621.21102 256.7
[M-H]- 581.24058 244.1
[M+Na-2H]- 603.22253 242.6
[M]+ 582.24731 245.3
[M]- 582.24841 245.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.