(2S)-2-[[(2R)-2-[[(2S)-3-carboxy-2-[[(2S)-2-[[(2R)-2-[[(3S)-3-[[(2S)-4-carboxy-2-[(3-hydroxy-11-methyldodecanoyl)amino]butanoyl]amino]-5-methylhexanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid (CHEBI:225703)

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CHEBI:225703 - (2S)-2-[[(2R)-2-[[(2S)-3-carboxy-2-[[(2S)-2-[[(2R)-2-[[(3S)-3-[[(2S)-4-carboxy-2-[(3-hydroxy-11-methyldodecanoyl)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:225703
ChEBI Name	(2S)-2-[[(2R)-2-[[(2S)-3-carboxy-2-[[(2S)-2-[[(2R)-2-[[(3S)-3-[[(2S)-4-carboxy-2-[(3-hydroxy-11-methyldodecanoyl)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	C52H93N7O14
Net Charge	0
Average Mass	1040.351
Monoisotopic Mass	1039.67805
SMILES	CC(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/C52H93N7O14/c1-29(2)18-16-14-13-15-17-19-36(60)27-43(62)54-37(20-21-44(63)64)47(67)53-35(22-30(3)4)26-42(61)55-38(23-31(5)6)50(70)59-46(34(11)12)51(71)57-40(28-45(65)66)49(69)56-39(24-32(7)8)48(68)58-41(52(72)73)25-33(9)10/h29-41,46,60H,13-28H2,1-12H3,(H,53,67)(H,54,62)(H,55,61)(H,56,69)(H,57,71)(H,58,68)(H,59,70)(H,63,64)(H,65,66)(H,72,73)/t35-,36?,37-,38+,39+,40-,41-,46-/m0/s1
InChIKey	RILYJFCKXTYFPP-RAIHVACOSA-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-methyldodecanoyl)amino]butanoyl]amino]-5-methylhexanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid (CHEBI:225703) 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-methyldodecanoyl)amino]butanoyl]amino]-5-methylhexanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid

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