Chloro-orienticin C (CHEBI:217352)

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CHEBI:217352 - Chloro-orienticin C

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ChEBI ID	CHEBI:217352
ChEBI Name	Chloro-orienticin C
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C60H65Cl2N9O19
Net Charge	0
Average Mass	1287.130
Monoisotopic Mass	1285.37738
SMILES	CN[C@H](CC(C)C)C(=O)N[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]2C(=O)NC3C(=O)NC(C(=O)N[C@H](C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)[C@H](OC3CC(C)(N)C(O)C(C)O3)c3ccc(c(Cl)c3)Oc3cc2cc(c3O)Oc2ccc(cc2Cl)[C@H]1O
InChI	InChI=1S/C60H65Cl2N9O19/c1-22(2)12-33(65-5)53(79)70-47-49(76)25-7-10-37(31(61)14-25)88-39-16-27-17-40(50(39)77)89-38-11-8-26(15-32(38)62)51(90-42-21-60(4,64)52(78)23(3)87-42)48-58(84)69-46(59(85)86)30-18-28(72)19-36(74)43(30)29-13-24(6-9-35(29)73)44(55(81)71-48)68-56(82)45(27)67-54(80)34(20-41(63)75)66-57(47)83/h6-11,13-19,22-23,33-34,42,44-49,51-52,65,72-74,76-78H,12,20-21,64H2,1-5H3,(H2,63,75)(H,66,83)(H,67,80)(H,68,82)(H,69,84)(H,70,79)(H,71,81)(H,85,86)/t23?,33-,34+,42?,44?,45-,46+,47-,48?,49-,51-,52?,60?/m1/s1
InChIKey	CHSINQSLUWRGER-YGSFPILTSA-N

Species of Metabolite	Component	Source	Comments
Amycolatopsis (ncbitaxon:1813)	-	PubMed (3272137)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Chloro-orienticin C (CHEBI:217352) is a oligopeptide (CHEBI:25676)

IUPAC Name
(2R,18R,19R,22S,25R,40S)-2-(4-amino-5-hydroxy-4,6-dimethyloxan-2-yl)oxy-22-(2-amino-2-oxoethyl)-5,15-dichloro-18,32,35,37,48-pentahydroxy-19-[[(2R)-4-methyl-2-(methylamino)pentanoyl]amino]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8,10,12(48),14,16,29(45),30,32,34(39),35,37,46,49-pentadecaene-40-carboxylic acid

Manual Xrefs	Databases
78445282	ChemSpider