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Substance Name: Cytochrome P450 1B1
RN: 330596-22-0
UNII: 0OZF0UI2AQ
InChIKey: JXTUVEVPOSTTCZ-BCZCOZCKSA-K

Molecular Formula

  • C34-H32-N4-O4.C3-H6-N-O2-S.Fe.H2-O

Molecular Weight

  • 754.662
 
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Names and Synonyms

Name of Substance

  • Cytochrome P450 1B1

Synonyms

  • Cyp1b1
  • Cytochrome P 450 1B1
  • Cytochrome P450 1B1
  • Human cytochrome P450 1B1
  • UNII-0OZF0UI2AQ

Registry Numbers

CAS Registry Number

  • 330596-22-0

FDA UNII

  • 0OZF0UI2AQ

System Generated Number

  • 0330596220

Structure Descriptors

InChI

1S/C34H34N4O4.C3H7NO2S.Fe.H2O/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;4-2(1-7)3(5)6;;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);2,7H,1,4H2,(H,5,6);;1H2/q;;+3;/p-3/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;;;/t;2-;;/m.0../s1

InChIKey

JXTUVEVPOSTTCZ-BCZCOZCKSA-K

Smiles

O.[Fe+3].CC1=C(CCC(=O)O)c2cc3nc(cc4[n-]c(cc5nc(cc1[n-]2)c(C=C)c5C)c(C=C)c4C)c(C)c3CCC(=O)O.N[C@@H](C[S-])C(=O)O