Malevamide D (CHEBI:217810)

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CHEBI:217810 - Malevamide D

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ChEBI ID	CHEBI:217810
ChEBI Name	Malevamide D
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C40H68N4O8
Net Charge	0
Average Mass	733.004
Monoisotopic Mass	732.50372
SMILES	CC[C@H](C)[C@@H](C(=O)N[C@H](C(=O)N(C)[C@@H](C(C)C)[C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)O[C@H](CO)Cc1ccccc1)OC)C(C)C)N(C)C
InChI	InChI=1S/C40H68N4O8/c1-13-27(6)36(42(8)9)38(47)41-34(25(2)3)39(48)43(10)35(26(4)5)32(50-11)23-33(46)44-21-17-20-31(44)37(51-12)28(7)40(49)52-30(24-45)22-29-18-15-14-16-19-29/h14-16,18-19,25-28,30-32,34-37,45H,13,17,20-24H2,1-12H3,(H,41,47)/t27-,28+,30-,31-,32+,34-,35-,36-,37+/m0/s1
InChIKey	LERBYHJLOKXDNI-UUFHNPECSA-N

Species of Metabolite	Component	Source	Comments
Symploca hydnoides (ncbitaxon:207924)	-	DOI (10.1021/np010560r)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Malevamide D (CHEBI:217810) is a peptide (CHEBI:16670)

IUPAC Name
[(2S)-1-hydroxy-3-phenylpropan-2-yl] (2R,3R)-3-[(2S)-1-[(3R,4S)-4-[[(2S)-2-[[(2S,3S)-2-(dimethylamino)-3-methylpentanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylhexanoyl]pyrrolidin-2-yl]-3-methoxy-2-methylpropanoate

Manual Xrefs	Databases
552443	ChemSpider