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CHEBI:218665 - Arthrofactin A

ChEBI IDCHEBI:218665
ChEBI NameArthrofactin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC64H111N11O20
Net Charge0
Average Mass1354.649
Monoisotopic Mass1353.80068
SMILESCCCCCCCC(O)CC(=O)N[C@H](CC(C)C)C(=O)N[C@H](CC(=O)O)C(=O)N[C@H]1C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CO)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(=O)O)C(=O)O[C@@H]1C
InChIInChI=1S/C64H111N11O20/c1-15-18-19-20-21-22-39(78)27-48(79)65-40(23-32(4)5)54(84)68-44(28-49(80)81)58(88)75-53-38(14)95-64(94)45(29-50(82)83)70-61(91)51(36(12)16-2)74-62(92)52(37(13)17-3)73-60(90)47(31-77)72-57(87)42(25-34(8)9)67-59(89)46(30-76)71-56(86)41(24-33(6)7)66-55(85)43(26-35(10)11)69-63(53)93/h32-47,51-53,76-78H,15-31H2,1-14H3,(H,65,79)(H,66,85)(H,67,89)(H,68,84)(H,69,93)(H,70,91)(H,71,86)(H,72,87)(H,73,90)(H,74,92)(H,75,88)(H,80,81)(H,82,83)/t36-,37-,38+,39?,40+,41+,42-,43+,44+,45-,46+,47+,51-,52-,53+/m0/s1
InChIKeyUROZFFDPLXHNMZ-LQIYNXBDSA-N
Species of MetaboliteComponentSourceComments
Arthrobacter (ncbitaxon:1663) - PubMed (8407822)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Arthrofactin A (CHEBI:218665) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(3R)-4-[[(3S,6S,9S,12R,15S,18R,21R,24R,27R,28R)-6,9-bis[(2S)-butan-2-yl]-3-(carboxymethyl)-12,18-bis(hydroxymethyl)-28-methyl-15,21,24-tris(2-methylpropyl)-2,5,8,11,14,17,20,23,26-nonaoxo-1-oxa-4,7,10,13,16,19,22,25-octazacyclooctacos-27-yl]amino]-3-[[(2R)-2-(3-hydroxydecanoylamino)-4-methylpentanoyl]amino]-4-oxobutanoic acid
Manual XrefsDatabases
78438680ChemSpider