Kistamicin A (CHEBI:227764)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:227764 - Kistamicin A

Take structure to advanced search

ChEBI ID	CHEBI:227764
ChEBI Name	Kistamicin A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C61H51ClN8O15
Net Charge	0
Average Mass	1171.573
Monoisotopic Mass	1170.31624
SMILES	NC(Cc1ccc(O)cc1)C(=O)NC1Cc2cnc3cc(ccc23)-c2cc3cc(c2O)Oc2ccc(cc2)CC2NC(=O)C(NC(=O)C3NC(=O)C(c3cc(O)cc(O)c3)NC1=O)c1ccc(c(Cl)c1)Oc1cc(ccc1O)C(C(=O)O)NC2=O
InChI	InChI=1S/C61H51ClN8O15/c62-41-20-30-7-14-47(41)85-48-23-31(6-13-46(48)74)53(61(82)83)70-56(77)44-16-28-3-10-38(11-4-28)84-49-24-33-19-40(54(49)75)29-5-12-39-34(26-64-43(39)21-29)22-45(65-55(76)42(63)15-27-1-8-35(71)9-2-27)57(78)67-51(32-17-36(72)25-37(73)18-32)59(80)69-52(33)60(81)68-50(30)58(79)66-44/h1-14,17-21,23-26,42,44-45,50-53,64,71-75H,15-16,22,63H2,(H,65,76)(H,66,79)(H,67,78)(H,68,81)(H,69,80)(H,70,77)(H,82,83)
InChIKey	UFHMIPMOTWJTKL-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Microtetraspora (ncbitaxon:1995)	-	PubMed (8294237)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Kistamicin A (CHEBI:227764) is a oligopeptide (CHEBI:25676)

IUPAC Name
22-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-34-chloro-25-(3,5-dihydroxyphenyl)-38,51-dihydroxy-23,26,29,44,46-pentaoxo-7,36-dioxa-18,24,27,30,43,45-hexazanonacyclo[29.13.2.23,6.232,35.18,12.113,17.137,41.010,28.016,20]tripentaconta-3(53),4,6(52),8,10,12(51),13(50),14,16,19,32,34,37,39,41(47),48-hexadecaene-42-carboxylic acid

Manual Xrefs	Databases
17288141	ChemSpider