CB-182348 (CHEBI:216711)

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CHEBI:216711 - CB-182348

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ChEBI ID	CHEBI:216711
ChEBI Name	CB-182348
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C72H109N17O25
Net Charge	0
Average Mass	1612.758
Monoisotopic Mass	1611.77805
SMILES	CCC(C)CCCCCCC(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]1C(=O)N(C)CC(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@H](CC(N)=O)C(=O)NC(CCC(=O)O)C(=O)N[C@@H](C(C)CC)C(=O)O[C@@H]1C
InChI	InChI=1S/C72H109N17O25/c1-8-36(3)18-12-10-11-13-22-53(92)79-46(28-40-33-76-42-20-15-14-19-41(40)42)67(108)82-44(23-25-56(95)96)65(106)85-48(30-52(75)91)70(111)88-61-39(6)114-72(113)60(37(4)9-2)87-66(107)45(24-26-57(97)98)83-68(109)47(29-51(74)90)80-54(93)34-77-63(104)49(31-58(99)100)86-64(105)43(21-16-17-27-73)81-69(110)50(32-59(101)102)84-62(103)38(5)78-55(94)35-89(7)71(61)112/h14-15,19-20,33,36-39,43-50,60-61,76H,8-13,16-18,21-32,34-35,73H2,1-7H3,(H2,74,90)(H2,75,91)(H,77,104)(H,78,94)(H,79,92)(H,80,93)(H,81,110)(H,82,108)(H,83,109)(H,84,103)(H,85,106)(H,86,105)(H,87,107)(H,88,111)(H,95,96)(H,97,98)(H,99,100)(H,101,102)/t36?,37?,38-,39+,43+,44+,45?,46-,47+,48-,49-,50-,60-,61-/m0/s1
InChIKey	ZTVNUIIAPLINPK-NGJIGUQESA-N

Species of Metabolite	Component	Source	Comments
Streptomyces fradiae (ncbitaxon:1906)	-	PubMed (21102596)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	CB-182348 (CHEBI:216711) is a cyclodepsipeptide (CHEBI:35213)

IUPAC Name
(4R)-5-[[(2S)-4-amino-1-[[(3S,9R,15S,18R,21S,24S,30S,31R)-18-(4-aminobutyl)-9-(2-amino-2-oxoethyl)-3-butan-2-yl-6-(2-carboxyethyl)-15,21-bis(carboxymethyl)-24,28,31-trimethyl-2,5,8,11,14,17,20,23,26,29-decaoxo-1-oxa-4,7,10,13,16,19,22,25,28-nonazacyclohentriacont-30-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-[[(2S)-3-(1H-indol-3-yl)-2-(8-methyldecanoylamino)propanoyl]amino]-5-oxopentanoic acid

Manual Xrefs	Databases
78445437	ChemSpider