Stenothricin D (CHEBI:204602)

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CHEBI:204602 - Stenothricin D

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ChEBI ID	CHEBI:204602
ChEBI Name	Stenothricin D
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C49H85N11O17S
Net Charge	0
Average Mass	1132.346
Monoisotopic Mass	1131.58456
SMILES	C/C=C1\NC(=O)[C@H](CN)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CS(=O)(=O)O)NC(=O)CC(=O)CCCCCCCCC(C)CC)[C@@H](C)OC(=O)CN(C)C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)NC1=O
InChI	InChI=1S/C49H85N11O17S/c1-8-29(5)18-14-12-10-11-13-15-19-31(63)22-38(64)52-37(27-78(74,75)76)46(70)59-41-30(6)77-39(65)24-60(7)49(73)33(20-16-17-21-50)54-44(68)35(25-61)56-47(71)40(28(3)4)58-42(66)32(9-2)53-43(67)34(23-51)55-45(69)36(26-62)57-48(41)72/h9,28-30,33-37,40-41,61-62H,8,10-27,50-51H2,1-7H3,(H,52,64)(H,53,67)(H,54,68)(H,55,69)(H,56,71)(H,57,72)(H,58,66)(H,59,70)(H,74,75,76)/b32-9-/t29?,30-,33+,34+,35+,36+,37+,40+,41+/m1/s1
InChIKey	PHDNRQWSNXDWOT-NSXDZLSWSA-N

Species of Metabolite	Component	Source	Comments
Streptomyces filamentosus (ncbitaxon:67294)	-	PubMed (24149839)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Stenothricin D (CHEBI:204602) is a cyclodepsipeptide (CHEBI:35213)

IUPAC Name
(2R)-3-[[(6S,9S,12S,15Z,18S,21S,24S,25R)-6-(4-aminobutyl)-18-(aminomethyl)-15-ethylidene-9,21-bis(hydroxymethyl)-4,25-dimethyl-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclopentacos-24-yl]amino]-2-[(12-methyl-3-oxotetradecanoyl)amino]-3-oxopropane-1-sulonic acid

Manual Xrefs	Databases
78442590	ChemSpider