Myxochromide B3 (CHEBI:213341)

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CHEBI:213341 - Myxochromide B3

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ChEBI ID	CHEBI:213341
ChEBI Name	Myxochromide B3
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C51H74N8O10
Net Charge	0
Average Mass	959.199
Monoisotopic Mass	958.55279
SMILES	C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C(=O)N(C)[C@@H]1C(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)O[C@@H]1C
InChI	InChI=1S/C51H74N8O10/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27-43(61)58(9)44-37(8)69-51(68)38(28-29-42(52)60)55-45(62)35(6)53-48(65)41-26-25-30-59(41)50(67)40(32-34(4)5)57-47(64)39(31-33(2)3)56-46(63)36(7)54-49(44)66/h10-24,27,33-41,44H,25-26,28-32H2,1-9H3,(H2,52,60)(H,53,65)(H,54,66)(H,55,62)(H,56,63)(H,57,64)/b11-10+,13-12+,15-14+,17-16+,19-18+,21-20+,23-22+,27-24+/t35-,36+,37+,38-,39-,40-,41-,44-/m0/s1
InChIKey	BBDFZPOSUPYDAK-BZPNHCEISA-N

Species of Metabolite	Component	Source	Comments
Myxococcusspecies (ncbitaxon:1929279)	-	PubMed (18803421)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Myxochromide B3 (CHEBI:213341) is a cyclodepsipeptide (CHEBI:35213)

IUPAC Name
(2E,4E,6E,8E,10E,12E,14E,16E)-N-[(3S,6S,9R,12S,13R,16S,19S,22S)-16-(3-amino-3-oxopropyl)-9,13,19-trimethyl-3,6-bis(2-methylpropyl)-2,5,8,11,15,18,21-heptaoxo-14-oxa-1,4,7,10,17,20-hexazabicyclo[20.3.0]pentacosan-12-yl]-N-methyloctadeca-2,4,6,8,10,12,14,16-octaenamide

Manual Xrefs	Databases
23343349	ChemSpider