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Substance Name: Hydroxyuroporphyrin I
RN: 125219-57-0
InChIKey: SIFYCYALCWVDJR-HYXMHASJSA-N

Molecular Formula

  • C40-H38-N4-O17

Molecular Weight

  • 846.7512
 
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Names and Synonyms

Name of Substance

  • Hydroxyuroporphyrin I

Systematic Name

  • 21H,23H-Porphine-2,7,12,17-tetrapropanoic acid, 3,8,13,18-tetrakis(carboxymethyl)-5-hydroxy-

Registry Numbers

CAS Registry Number

  • 125219-57-0

System Generated Number

  • 0125219570

Structure Descriptors

InChI

1S/C40H38N4O17/c45-30(46)5-1-16-20(9-34(53)54)27-14-25-17(2-6-31(47)48)21(10-35(55)56)28(42-25)15-29-22(11-36(57)58)19(4-8-33(51)52)38(44-29)40(61)39-23(12-37(59)60)18(3-7-32(49)50)26(43-39)13-24(16)41-27/h13-15,41,44,61H,1-12H2,(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)/b24-13-,25-14-,26-13-,27-14-,28-15-,29-15-,40-38+,40-39+

InChIKey

SIFYCYALCWVDJR-HYXMHASJSA-N

Smiles

c1\c2c(c(c([nH]2)/cc/3\nc(/cc\4/c(c(/c(/[nH]4)c(/c5n/c1/C(=C5CC(=O)O)CCC(=O)O)\O)CCC(=O)O)CC(=O)O)C(=C3CCC(=O)O)CC(=O)O)CC(=O)O)CCC(=O)O