Tubulysin F (CHEBI:227492)

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CHEBI:227492 - Tubulysin F

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ChEBI ID	CHEBI:227492
ChEBI Name	Tubulysin F
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C41H61N5O9S
Net Charge	0
Average Mass	800.032
Monoisotopic Mass	799.41900
SMILES	CCC(=O)OCN(C(=O)[C@@H](NC(=O)[C@H]1CCCCN1C)[C@@H](C)CC)[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/C41H61N5O9S/c1-9-26(5)36(44-38(50)32-18-14-15-19-45(32)8)40(51)46(24-54-35(48)10-2)33(25(3)4)22-34(55-28(7)47)39-43-31(23-56-39)37(49)42-30(20-27(6)41(52)53)21-29-16-12-11-13-17-29/h11-13,16-17,23,25-27,30,32-34,36H,9-10,14-15,18-22,24H2,1-8H3,(H,42,49)(H,44,50)(H,52,53)/t26-,27-,30+,32+,33+,34+,36-/m0/s1
InChIKey	RWWMZVCEIUIEHQ-WIIAZBTESA-N

Species of Metabolite	Component	Source	Comments
Archangium gephyra (ncbitaxon:48)	-	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 F (CHEBI:227492) is a dipeptide (CHEBI:46761)

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

Manual Xrefs	Databases
9460803	ChemSpider