Nostocyclin (CHEBI:206843)

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CHEBI:206843 - Nostocyclin

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ChEBI ID	CHEBI:206843
ChEBI Name	Nostocyclin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C56H76N8O15
Net Charge	0
Average Mass	1101.265
Monoisotopic Mass	1100.54301
SMILES	CCC(C)[C@H](NC(=O)C(O)Cc1ccc(O)cc1)C(=O)NC(CCO)C(=O)N[C@@H]1C(=O)NC(CCO)C(=O)NC2CCC(O)N(C2=O)[C@@H](Cc2ccccc2)C(=O)N(C)C(Cc2ccccc2)C(=O)N[C@@H](C(C)C)C(=O)O[C@@H]1C
InChI	InChI=1S/C56H76N8O15/c1-7-32(4)46(61-51(73)43(68)30-36-18-20-37(67)21-19-36)52(74)57-39(25-27-66)49(71)62-47-33(5)79-56(78)45(31(2)3)60-50(72)41(28-34-14-10-8-11-15-34)63(6)55(77)42(29-35-16-12-9-13-17-35)64-44(69)23-22-40(54(64)76)59-48(70)38(24-26-65)58-53(47)75/h8-21,31-33,38-47,65-69H,7,22-30H2,1-6H3,(H,57,74)(H,58,75)(H,59,70)(H,60,72)(H,61,73)(H,62,71)/t32?,33-,38?,39?,40?,41?,42+,43?,44?,45+,46+,47+/m1/s1
InChIKey	DRMWSLAWGFOSBA-SODFLBCDSA-N

Species of Metabolite	Component	Source	Comments
Nostocspecies (ncbitaxon:1180)	-	DOI (10.1016/s0040-4039(96)01452-9)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Nostocyclin (CHEBI:206843) is a cyclodepsipeptide (CHEBI:35213)

IUPAC Name
(2S)-N-[1-[[(2S,8S,11R,12S)-2,5-dibenzyl-21-hydroxy-15-(2-hydroxyethyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-4-hydroxy-1-oxobutan-2-yl]-2-[[2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanamide

Manual Xrefs	Databases
78445519	ChemSpider