3-yatakemycinyl-2′-deoxyadenosine (CHEBI:760801)

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CHEBI:760801 - 3-yatakemycinyl-2′-deoxyadenosine

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ChEBI ID	CHEBI:760801
ChEBI Name	3-yatakemycinyl-2′-deoxyadenosine
Stars
Last Modified	2 September 2026
Submitter	Kristian Axelsen
Downloads	Molfile

Formula	C40H35N10O8S
Net Charge	+1
Average Mass	815.849
Monoisotopic Mass	815.23546
SMILES	COc1cc2nc(C(=O)N3C[C@@H](C[n+]4cnc(N)c5ncnc54)c4c3cc(O)c3nc(C(=O)N5CCc6c5c(O)c(OC)c5nc(C(=O)SC)cc65)cc43)cc2cc1O
InChI	InChI=1S/C40H34N10O8S/c1-57-28-10-21-16(7-26(28)51)6-22(45-21)39(55)50-13-17(12-48-15-44-36(41)32-37(48)43-14-42-32)29-20-9-23(46-30(20)27(52)11-25(29)50)38(54)49-5-4-18-19-8-24(40(56)59-3)47-31(19)35(58-2)34(53)33(18)49/h6-11,14-15,17H,4-5,12-13H2,1-3H3,(H8,41,42,43,45,46,47,51,52,53,54,55,56)/p+1/t17-/m1/s1
InChIKey	IVPPQSPDBMJLOW-QGZVFWFLSA-O

ChEBI Ontology

Outgoing Relation(s)
	3-yatakemycinyl-2′-deoxyadenosine (CHEBI:760801) has functional parent adenine (CHEBI:16708)
	3-yatakemycinyl-2′-deoxyadenosine (CHEBI:760801) has functional parent yatakemycin (CHEBI:198627)
	3-yatakemycinyl-2′-deoxyadenosine (CHEBI:760801) is a 6-aminopurines (CHEBI:20706)
	3-yatakemycinyl-2′-deoxyadenosine (CHEBI:760801) is a aromatic ether (CHEBI:35618)
	3-yatakemycinyl-2′-deoxyadenosine (CHEBI:760801) is a hydroxyindoles (CHEBI:84729)
	3-yatakemycinyl-2′-deoxyadenosine (CHEBI:760801) is a purine nucleobase (CHEBI:26386)
	3-yatakemycinyl-2′-deoxyadenosine (CHEBI:760801) is a pyrroloindole (CHEBI:48133)
	3-yatakemycinyl-2′-deoxyadenosine (CHEBI:760801) is a tertiary carboxamide (CHEBI:140326)
	3-yatakemycinyl-2′-deoxyadenosine (CHEBI:760801) is a thioester (CHEBI:51277)

Synonym	Source
YTMA	SUBMITTER

UniProt Name	Source
N3-yatakemycinyl-2′-deoxyadenosine	UniProt

Citations