Tubulysin G (CHEBI:210046)

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CHEBI:210046 - Tubulysin G

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ChEBI ID	CHEBI:210046
ChEBI Name	Tubulysin G
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C43H63N5O10S
Net Charge	0
Average Mass	842.069
Monoisotopic Mass	841.42956
SMILES	CC[C@H](C)[C@H](NC(=O)[C@H]1CCCCN1C)C(=O)N(COC(=O)C=C(C)C)[C@H](C[C@@H](OC(C)=O)c1nc(C(=O)N[C@@H](Cc2ccc(O)cc2)C[C@H](C)C(=O)O)cs1)C(C)C
InChI	InChI=1S/C43H63N5O10S/c1-10-27(6)38(46-40(53)34-13-11-12-18-47(34)9)42(54)48(24-57-37(51)19-25(2)3)35(26(4)5)22-36(58-29(8)49)41-45-33(23-59-41)39(52)44-31(20-28(7)43(55)56)21-30-14-16-32(50)17-15-30/h14-17,19,23,26-28,31,34-36,38,50H,10-13,18,20-22,24H2,1-9H3,(H,44,52)(H,46,53)(H,55,56)/t27-,28-,31+,34+,35+,36+,38-/m0/s1
InChIKey	QRLSJCMHFBSSJW-OEJISELMSA-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 G (CHEBI:210046) is a dipeptide (CHEBI:46761)

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

Manual Xrefs	Databases
9345483	ChemSpider