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Biological and Environmental Research Ontology
| Preferred Name | FAD | |
| Synonyms |
Riboflavin 5'-adenosine diphosphate FLAVIN-ADENINE DINUCLEOTIDE Flavin adenine dinucleotide Riboflavin 5'-(trihydrogen diphosphate), 5'-5'-ester with adenosine Adenosine 5'-(trihydrogen pyrophosphate), 5'-5'-ester with riboflavine adenosine 5'-[3-(riboflavin-5'-yl) dihydrogen diphosphate] adenosine 5'-(3-{D-ribo-5-[7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl]-2,3,4-trihydroxypentyl} dihydrogen diphosphate) FAD |
|
| Definitions |
A flavin adenine dinucleotide in which the substituent at position 10 of the flavin nucleus is a 5'-adenosyldiphosphoribityl group. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_16238 |
|
| alternative term |
Riboflavin 5'-adenosine diphosphate FLAVIN-ADENINE DINUCLEOTIDE Flavin adenine dinucleotide Riboflavin 5'-(trihydrogen diphosphate), 5'-5'-ester with adenosine Adenosine 5'-(trihydrogen pyrophosphate), 5'-5'-ester with riboflavine adenosine 5'-[3-(riboflavin-5'-yl) dihydrogen diphosphate] adenosine 5'-(3-{D-ribo-5-[7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl]-2,3,4-trihydroxypentyl} dihydrogen diphosphate) FAD
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|
| bearer of |
http://purl.obolibrary.org/obo/CHEBI_77746 http://purl.obolibrary.org/obo/CHEBI_26348 |
|
| charge |
0
|
|
| database_cross_reference |
DrugBank:DB03147 COMe:MOL000039 CAS:146-14-5 KEGG:D00005 KEGG:C00016 KNApSAcK:C00001500 PMID:24643482 PDBeChem:FAD PMID:25108762 Gmelin:108834 Beilstein:1208946
|
|
| definition |
A flavin adenine dinucleotide in which the substituent at position 10 of the flavin nucleus is a 5'-adenosyldiphosphoribityl group.
|
|
| formula |
C27H33N9O15P2
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|
| has_alternative_id |
CHEBI:21125 CHEBI:13315 CHEBI:42388 CHEBI:4956
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|
| has_exact_synonym |
adenosine 5'-(3-{D-ribo-5-[7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl]-2,3,4-trihydroxypentyl} dihydrogen diphosphate) FAD
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|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
Riboflavin 5'-adenosine diphosphate FLAVIN-ADENINE DINUCLEOTIDE Flavin adenine dinucleotide Riboflavin 5'-(trihydrogen diphosphate), 5'-5'-ester with adenosine Adenosine 5'-(trihydrogen pyrophosphate), 5'-5'-ester with riboflavine adenosine 5'-[3-(riboflavin-5'-yl) dihydrogen diphosphate]
|
|
| id |
CHEBI:16238
|
|
| in_subset | ||
| inchi |
InChI=1S/C27H33N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,34,42,43)/t14-,15+,16+,19-,20+,21+,26+/m0/s1
|
|
| inchikey |
VWWQXMAJTJZDQX-UYBVJOGSSA-N
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|
| is_conjugate_acid_of | ||
| label |
FAD
|
|
| mass |
785.55010
|
|
| monoisotopicmass |
785.15714
|
|
| notation |
CHEBI:16238
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|
| prefLabel |
FAD
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|
| RO_0000087 |
http://purl.obolibrary.org/obo/CHEBI_77746 http://purl.obolibrary.org/obo/CHEBI_26348 |
|
| smiles |
Cc1cc2nc3c(nc(=O)[nH]c3=O)n(C[C@H](O)[C@H](O)[C@H](O)COP(O)(=O)OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c(N)ncnc34)c2cc1C
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| subClassOf |
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