Hangtaimycin (CHEBI:225673)

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CHEBI:225673 - Hangtaimycin

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ChEBI ID	CHEBI:225673
ChEBI Name	Hangtaimycin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C50H61N7O11
Net Charge	0
Average Mass	936.076
Monoisotopic Mass	935.44291
SMILES	C=C(NC(=O)/C=C\C=C\CCCC1=CC(=O)OC(C(O)NC(=O)C(C)=CC(C)NC(=O)/C=C\C=C\C)C1)C(=O)NC(C(=O)N1C(=O)[C@@H](Cc2cnc3ccccc23)N(C)C(=O)/C1=C/C)C(C)OC
InChI	InChI=1S/C50H61N7O11/c1-9-11-15-23-41(58)52-31(4)25-30(3)45(61)55-47(63)40-26-34(27-43(60)68-40)20-16-13-12-14-17-24-42(59)53-32(5)46(62)54-44(33(6)67-8)50(66)57-38(10-2)48(64)56(7)39(49(57)65)28-35-29-51-37-22-19-18-21-36(35)37/h9-12,14-15,17-19,21-25,27,29,31,33,39-40,44,47,51,63H,5,13,16,20,26,28H2,1-4,6-8H3,(H,52,58)(H,53,59)(H,54,62)(H,55,61)/b11-9+,14-12+,23-15-,24-17-,30-25?,38-10-/t31?,33?,39-,40?,44?,47?/m1/s1
InChIKey	LGOZWCQQHDTENY-PILILVDOSA-N

Species of Metabolite	Component	Source	Comments
Streptomyces (ncbitaxon:1883)	-	PubMed (26956796)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Hangtaimycin (CHEBI:225673) is a peptide (CHEBI:16670)

IUPAC Name
(2Z,4E)-N-[3-[[1-[(2Z,5R)-2-ethylidene-5-(1H-indol-3-ylmethyl)-4-methyl-3,6-dioxopiperazin-1-yl]-3-methoxy-1-oxobutan-2-yl]amino]-3-oxoprop-1-en-2-yl]-8-[2-[[[4-[[(2Z,4E)-hexa-2,4-dienoyl]amino]-2-methylpent-2-enoyl]amino]-hydroxymethyl]-6-oxo-2,3-dihydropyran-4-yl]octa-2,4-dienamide

Manual Xrefs	Databases
78445365	ChemSpider