Iso-C16 mojavensin (CHEBI:226869)

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CHEBI:226869 - Iso-C16 mojavensin

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ChEBI ID	CHEBI:226869
ChEBI Name	Iso-C16 mojavensin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C51H79N13O14
Net Charge	0
Average Mass	1098.270
Monoisotopic Mass	1097.58694
SMILES	CC(C)CCCCCCCCCCC1CC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](CC(N)=O)C(=O)N[C@H](CCC(N)=O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1
InChI	InChI=1S/C51H79N13O14/c1-28(2)12-9-7-5-3-4-6-8-10-13-30-23-44(71)58-34(24-40(53)67)47(74)60-33(22-29-15-17-31(65)18-16-29)46(73)62-36(26-42(55)69)48(75)59-32(19-20-39(52)66)51(78)64-21-11-14-38(64)50(77)63-37(27-43(56)70)49(76)61-35(25-41(54)68)45(72)57-30/h15-18,28,30,32-38,65H,3-14,19-27H2,1-2H3,(H2,52,66)(H2,53,67)(H2,54,68)(H2,55,69)(H2,56,70)(H,57,72)(H,58,71)(H,59,75)(H,60,74)(H,61,76)(H,62,73)(H,63,77)/t30?,32-,33+,34+,35+,36-,37+,38+/m1/s1
InChIKey	QTPRMJPCOGYGDC-VPXFXMGISA-N

Species of Metabolite	Component	Source	Comments
Bacillus mojavensis (ncbitaxon:72360)	-	PubMed (24699814)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Iso-C16 mojavensin (CHEBI:226869) is a peptide (CHEBI:16670)

IUPAC Name
3-[(3R,6R,9S,12S,19S,22S,25S)-6,12,19,22-tetrakis(2-amino-2-oxoethyl)-9-[(4-hydroxyphenyl)methyl]-16-(11-methyldodecyl)-2,5,8,11,14,18,21,24-octaoxo-1,4,7,10,13,17,20,23-octazabicyclo[23.3.0]octacosan-3-yl]propanamide

Manual Xrefs	Databases
32674566	ChemSpider