Tubulysin H (CHEBI:199035)

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CHEBI:199035 - Tubulysin H

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ChEBI ID	CHEBI:199035
ChEBI Name	Tubulysin H
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C40H59N5O9S
Net Charge	0
Average Mass	786.005
Monoisotopic Mass	785.40335
SMILES	CC[C@H](C)[C@H](NC(=O)[C@H]1CCCCN1C)C(=O)N(COC(C)=O)[C@H](C[C@@H](OC(C)=O)c1nc(C(=O)N[C@@H](Cc2ccccc2)C[C@H](C)C(=O)O)cs1)C(C)C
InChI	InChI=1S/C40H59N5O9S/c1-9-25(4)35(43-37(49)32-17-13-14-18-44(32)8)39(50)45(23-53-27(6)46)33(24(2)3)21-34(54-28(7)47)38-42-31(22-55-38)36(48)41-30(19-26(5)40(51)52)20-29-15-11-10-12-16-29/h10-12,15-16,22,24-26,30,32-35H,9,13-14,17-21,23H2,1-8H3,(H,41,48)(H,43,49)(H,51,52)/t25-,26-,30+,32+,33+,34+,35-/m0/s1
InChIKey	CYTBBNFQKZOQJE-YRKZXFTRSA-N

Species of Metabolite	Component	Source	Comments
Archangium disciforme (ncbitaxon:38)	-	PubMed (15372566)

Roles Classification

Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).

ChEBI Ontology

Outgoing Relation(s)
	Tubulysin H (CHEBI:199035) is a dipeptide (CHEBI:46761)

IUPAC Name
(2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[acetyloxymethyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid

Manual Xrefs	Databases
9586623	ChemSpider