(2S)-2-[[(2R)-2-[[(2S)-3-carboxy-2-[[(2S)-2-[[(2R)-2-[[(3S)-3-[[(2S)-4-carboxy-2-[(3-hydroxy-11-methyltridecanoyl)amino]butanoyl]amino]-5-methylhexanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid (CHEBI:225708)

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CHEBI:225708 - (2S)-2-[[(2R)-2-[[(2S)-3-carboxy-2-[[(2S)-2-[[(2R)-2-[[(3S)-3-[[(2S)-4-carboxy-2-[(3-hydroxy-11-methyltridecanoyl)amino]butanoyl]amino]-5-methylhexanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid

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ChEBI ID	CHEBI:225708
ChEBI Name	(2S)-2-[[(2R)-2-[[(2S)-3-carboxy-2-[[(2S)-2-[[(2R)-2-[[(3S)-3-[[(2S)-4-carboxy-2-[(3-hydroxy-11-methyltridecanoyl)amino]butanoyl]amino]-5-methylhexanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C53H95N7O14
Net Charge	0
Average Mass	1054.378
Monoisotopic Mass	1053.69370
SMILES	CCC(C)CCCCCCCC(O)CC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](CC(=O)N[C@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)C)CC(C)C
InChI	InChI=1S/C53H95N7O14/c1-13-35(12)19-17-15-14-16-18-20-37(61)28-44(63)55-38(21-22-45(64)65)48(68)54-36(23-30(2)3)27-43(62)56-39(24-31(4)5)51(71)60-47(34(10)11)52(72)58-41(29-46(66)67)50(70)57-40(25-32(6)7)49(69)59-42(53(73)74)26-33(8)9/h30-42,47,61H,13-29H2,1-12H3,(H,54,68)(H,55,63)(H,56,62)(H,57,70)(H,58,72)(H,59,69)(H,60,71)(H,64,65)(H,66,67)(H,73,74)/t35?,36-,37?,38-,39+,40+,41-,42-,47-/m0/s1
InChIKey	KIUAUPMAFAKUEL-WXAVRFBTSA-N

Species of Metabolite	Component	Source	Comments
Micromonospora (ncbitaxon:1873)	-	PubMed (27301660)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	(2S)-2-[[(2R)-2-[[(2S)-3-carboxy-2-[[(2S)-2-[[(2R)-2-[[(3S)-3-[[(2S)-4-carboxy-2-[(3-hydroxy-11-methyltridecanoyl)amino]butanoyl]amino]-5-methylhexanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid (CHEBI:225708) is a peptide (CHEBI:16670)

IUPAC Name
(2S)-2-[[(2R)-2-[[(2S)-3-carboxy-2-[[(2S)-2-[[(2R)-2-[[(3S)-3-[[(2S)-4-carboxy-2-[(3-hydroxy-11-methyltridecanoyl)amino]butanoyl]amino]-5-methylhexanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid

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