Showing metabocard for Heme A (MMDBc0033174)

Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-19 04:37:43 UTC
Update Date2022-08-31 22:27:08 UTC
Metabolite IDMMDBc0033174
Metabolite Identification
Common NameHeme A
DescriptionHeme a is a derivative of protoheme IX (heme b or heme). Heme a differs from heme b in that a methyl side chain at ring position 8 is oxidized into a formyl group, and one of the vinyl side chains, at ring position 2, has been replaced by an isoprenoid chain. In the heme biosynthesis from uroporphyrinogen-III pathway, different derivatives of protoheme can actually be formed that differ in modifications to the porphyrin ring, including how it is bound to the protein (e.g. heme o, heme a, heme c, and heme d). [Biocyc PWY-5189]
Structure
MOLSDFPDBSMILESInChI

MOL for #<Metabolite:0x00007f1240ef2668>

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3D MOL for #<Metabolite:0x00007f1240ef2668>

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3D SDF for #<Metabolite:0x00007f1240ef2668>

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3D-SDF for #<Metabolite:0x00007f1240ef2668>

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PDB for #<Metabolite:0x00007f1240ef2668>

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3D PDB for #<Metabolite:0x00007f1240ef2668>

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SMILES for #<Metabolite:0x00007f1240ef2668>

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INCHI for #<Metabolite:0x00007f1240ef2668>

Not Available
SynonymsNot Available
Molecular FormulaC49H56FeN4O6
Average Mass852.837
Monoisotopic Mass852.354927677
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry Number57560-10-8
SMILESNot Available
InChI Identifier
InChI=1S/C49H56N4O6.Fe/c1-9-34-31(6)39-25-45-49(46(55)18-12-17-30(5)16-11-15-29(4)14-10-13-28(2)3)33(8)40(52-45)24-44-37(27-54)36(20-22-48(58)59)43(53-44)26-42-35(19-21-47(56)57)32(7)38(51-42)23-41(34)50-39;/h9,13,15,17,23-27,46,55H,1,10-12,14,16,18-22H2,2-8H3,(H,56,57)(H,58,59);/q-2;+4/b29-15?,30-17?,38-23-,40-24-,42-26-,45-25-;
InChI KeyKZGQHTJCCRPHLY-AJSNUMFDSA-N