Mohangamide A (CHEBI:219187)

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:219187 - Mohangamide A

ChEBI ID	CHEBI:219187
ChEBI Name	Mohangamide A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C107H139N17O26
Net Charge	0
Average Mass	2079.382
Monoisotopic Mass	2078.00772
SMILES	CCC/C=C\c1ccccc1/C=C/C(=O)N[C@@H]1C(=O)N(C)/C(=C/c2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)O[C@H](C)[C@H](NC(=O)C/C=C2/C=CNC[C@H]2/C=C\CCC)C(=O)N(C)/C(=C/c2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)O[C@@H]1C
InChI	InChI=1S/C107H139N17O26/c1-13-15-19-31-70-32-25-26-33-71(70)39-45-88(133)119-92-64(9)149-106(147)82(58-125)117-96(137)80(55-86(108)131)115-102(143)90(62(7)127)121-99(140)79(52-67-29-23-18-24-30-67)112-95(136)77(50-61(5)6)114-101(142)85(54-69-37-43-75(130)44-38-69)124(12)105(146)93(120-89(134)46-40-72-47-48-110-57-73(72)34-20-16-14-2)65(10)150-107(148)83(59-126)118-97(138)81(56-87(109)132)116-103(144)91(63(8)128)122-98(139)78(51-66-27-21-17-22-28-66)111-94(135)76(49-60(3)4)113-100(141)84(123(11)104(92)145)53-68-35-41-74(129)42-36-68/h17-45,47-48,53-54,60-65,73,76-83,90-93,110,125-130H,13-16,46,49-52,55-59H2,1-12H3,(H2,108,131)(H2,109,132)(H,111,135)(H,112,136)(H,113,141)(H,114,142)(H,115,143)(H,116,144)(H,117,137)(H,118,138)(H,119,133)(H,120,134)(H,121,140)(H,122,139)/b31-19-,34-20-,45-39+,72-40-,84-53+,85-54+/t62-,63-,64+,65+,73+,76-,77-,78+,79+,80-,81-,82-,83-,90-,91-,92-,93-/m0/s1
InChIKey	NFKJWNZPLBEZNG-BMVAUADASA-N

Species of Metabolite	Component	Source	Comments
Streptomycesspecies (ncbitaxon:1931)	-	PubMed (25622093)

Roles Classification

Chemical Role:

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

ChEBI Ontology

Outgoing Relation(s)
	Mohangamide A (CHEBI:219187) is a cyclodepsipeptide (CHEBI:35213)

IUPAC Name
(3E)-N-[(3S,6S,9S,12R,15S,18E,21S,22R,25S,28S,31S,34R,37S,40E,43S,44R)-12,34-dibenzyl-5,8,11,14,17,27,30,33,36,39-decahydroxy-9,31-bis[(1S)-1-hydroxyethyl]-6,28-bis(2-hydroxy-2-iminoethyl)-3,25-bis(hydroxymethyl)-43-[[(E)-1-hydroxy-3-[2-[(Z)-pent-1-enyl]phenyl]prop-2-enylidene]amino]-18,40-bis[(4-hydroxyphenyl)methylidene]-19,22,41,44-tetramethyl-15,37-bis(2-methylpropyl)-2,20,24,42-tetraoxo-1,23-dioxa-4,7,10,13,16,19,26,29,32,35,38,41-dodecazacyclotetratetraconta-4,7,10,13,16,26,29,32,35,38-decaen-21-yl]-3-[(3S)-3-[(Z)-pent-1-enyl]-2,3-dihydro-1H-pyridin-4-ylidene]propanimidic acid

IUPAC Name

(3E)-N-[(3S,6S,9S,12R,15S,18E,21S,22R,25S,28S,31S,34R,37S,40E,43S,44R)-12,34-dibenzyl-5,8,11,14,17,27,30,33,36,39-decahydroxy-9,31-bis[(1S)-1-hydroxyethyl]-6,28-bis(2-hydroxy-2-iminoethyl)-3,25-bis(hydroxymethyl)-43-[[(E)-1-hydroxy-3-[2-[(Z)-pent-1-enyl]phenyl]prop-2-enylidene]amino]-18,40-bis[(4-hydroxyphenyl)methylidene]-19,22,41,44-tetramethyl-15,37-bis(2-methylpropyl)-2,20,24,42-tetraoxo-1,23-dioxa-4,7,10,13,16,19,26,29,32,35,38,41-dodecazacyclotetratetraconta-4,7,10,13,16,26,29,32,35,38-decaen-21-yl]-3-[(3S)-3-[(Z)-pent-1-enyl]-2,3-dihydro-1H-pyridin-4-ylidene]propanimidic acid

Manual Xrefs	Databases
34485667	ChemSpider